data_2eot_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 2eot _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 ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.039 0.447 . . . . 2.06 110.59 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -133.81 -47.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.759 -0.655 . . . . 3.02 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.38 93.67 9.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.689 . . . . 3.69 110.287 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.04 152.85 26.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 1.94 110.582 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.34 139.03 35.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.746 -0.661 . . . . 1.93 110.53 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -101.8 -36.5 8.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 3.36 110.28 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -79.07 119.01 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.741 -0.663 . . . . 4.77 110.305 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -59.04 130.73 48.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 3.52 110.791 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 18' ' ' ILE . 61.4 mt -89.84 139.52 27.67 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.741 -0.663 . . . . 1.78 109.921 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.53 160.94 25.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 121.501 1.467 . . . . 1.73 112.766 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 26.1 mt -80.45 -40.83 25.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 1.72 111.09 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 2.62 110.906 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -91.31 -12.98 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 4.6 111.332 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.76 143.57 51.17 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.299 0.571 . . . . 1.66 110.903 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.66 -41.31 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.354 -0.839 . . . . 3.03 110.112 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 p -169.43 -179.6 3.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.775 -0.648 . . . . 2.25 109.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 1.5 p90 -151.45 154.19 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 2.53 110.563 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -139.44 128.47 23.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 4.06 110.686 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -107.87 148.07 30.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.77 -0.65 . . . . 3.03 110.186 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -127.09 140.29 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.767 -0.651 . . . . 2.17 110.489 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -164.62 32.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.712 -0.677 . . . . 2.73 110.316 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -171.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.728 -0.669 . . . . 3.81 110.609 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.19 -9.48 53.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 115.842 -0.617 . . . . 2.97 111.879 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -98.66 29.91 3.51 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-O 121.018 0.437 . . . . 5.7 110.766 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.02 149.5 73.47 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.006 -0.543 . . . . 2.17 110.233 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.77 -28.13 1.8 Allowed 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.907 1.738 . . . . 2.44 112.484 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -136.91 170.76 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 3.85 110.412 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.58 136.02 50.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 3.72 110.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.05 -171.91 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.799 -0.637 . . . . 1.66 110.545 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.81 159.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.751 -0.659 . . . . 1.54 110.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.84 130.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 2.16 109.546 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -107.05 151.09 25.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.266 0.555 . . . . 1.49 110.923 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -128.1 126.96 42.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.46 -0.791 . . . . 3.38 109.672 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.1 p -89.91 -167.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 2.04 110.034 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -97.93 29.1 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 3.6 110.63 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -121.81 20.3 10.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.179 -0.464 . . . . 3.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.51 36.75 19.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.176 0.512 . . . . 2.86 110.632 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -132.67 145.13 50.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.91 -0.587 . . . . 3.77 110.56 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -116.06 147.03 41.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 2.28 110.354 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -134.81 152.51 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.896 -0.593 . . . . 2.53 110.387 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.09 152.98 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 1.82 110.219 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.11 137.74 10.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 1.47 110.507 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -93.52 153.1 41.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 2.22 109.951 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.52 12.7 2.79 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 121.9 1.733 . . . . 1.21 113.931 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -110.08 16.75 21.64 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.636 -0.426 . . . . 3.76 111.421 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -100.48 171.04 7.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.134 0.492 . . . . 2.7 110.491 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -88.42 -33.02 18.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.856 -0.611 . . . . 4.13 110.499 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CE2' HG21 ' A' ' 58' ' ' VAL . 68.1 p-90 -86.35 -26.57 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 1.41 110.448 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.427 HG21 ' CE2' ' A' ' 57' ' ' TRP . 64.6 t -75.48 -42.53 42.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 109.336 -0.616 . . . . 1.42 109.336 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.85 -47.75 82.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 2.72 109.737 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.33 -35.52 80.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.467 -0.788 . . . . 1.87 109.34 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -64.63 -52.01 59.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.363 -0.835 . . . . 1.21 109.931 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.9 ttm -61.62 -44.79 96.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 2.25 110.238 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -64.44 -35.1 79.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.82 -0.627 . . . . 3.17 109.707 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 42.0 t80 -62.8 -53.49 53.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.204 -0.907 . . . . 1.93 109.842 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 56.7 mt -65.72 -41.82 91.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 1.83 110.045 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.31 -33.64 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.257 -0.883 . . . . 1.95 110.207 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 3.38 110.569 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.174 0.512 . . . . 2.06 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -108.68 -32.42 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 3.02 110.259 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.05 83.41 5.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.874 -0.603 . . . . 3.69 110.382 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.17 140.53 48.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.428 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 137.12 58.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.93 110.534 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.73 -36.39 8.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.794 -0.639 . . . . 3.36 110.352 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -80.78 122.75 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.725 -0.67 . . . . 4.77 110.302 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -60.99 138.04 58.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.829 -0.623 . . . . 3.52 110.65 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 18' ' ' ILE . 61.4 mt -97.58 139.78 21.59 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.799 -0.637 . . . . 1.78 110.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.5 159.3 25.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.582 1.521 . . . . 1.73 112.894 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.62 -38.2 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.72 110.937 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -59.3 -31.2 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 2.62 110.836 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -94.4 -10.84 31.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 4.6 111.254 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.58 142.63 51.71 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.275 0.56 . . . . 1.66 110.816 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.28 -41.36 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 3.03 109.953 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.32 -179.66 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.668 -0.697 . . . . 2.25 109.879 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.426 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 2.0 p90 -149.77 151.34 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 2.53 110.692 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 106.6 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 4.06 110.406 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -84.46 146.67 27.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.821 -0.627 . . . . 3.03 110.384 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.06 134.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 2.17 110.379 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -164.1 31.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 2.73 110.427 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 t -74.36 -173.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.943 -0.571 . . . . 3.81 110.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.32 31.57 7.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.759 -0.936 . . . . 2.97 110.759 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -114.37 -38.62 4.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.084 0.468 . . . . 5.7 110.526 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.98 150.49 58.67 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.864 -0.607 . . . . 2.17 110.377 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.29 -26.44 2.77 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.814 1.676 . . . . 2.44 112.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -133.3 104.47 6.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.88 -0.6 . . . . 3.85 110.382 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -59.28 145.39 43.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.922 -0.581 . . . . 3.72 110.523 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.43 -178.67 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.228 0.537 . . . . 1.66 110.914 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.65 156.99 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.428 -0.805 . . . . 1.54 109.998 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG22 HD11 ' A' ' 40' ' ' ILE . 29.8 mm -124.02 142.43 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 2.16 109.398 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 30.6 m-85 -120.02 147.17 45.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.351 0.596 . . . . 1.49 110.888 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -124.8 132.03 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.256 -0.884 . . . . 3.38 109.917 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -99.37 -163.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 2.04 109.889 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -96.31 27.89 3.53 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.457 -0.338 . . . . 3.6 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -121.68 18.91 11.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.346 -0.388 . . . . 3.0 111.066 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.5 32.24 21.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.453 . . . . 2.86 110.632 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -126.44 150.46 48.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 3.77 110.548 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.8 148.47 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.68 -0.691 . . . . 2.28 110.365 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.7 mm -135.78 142.88 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 2.53 110.21 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.8 m -77.43 149.5 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 1.82 110.326 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -155.84 138.14 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.676 . . . . 1.47 110.606 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -93.0 154.18 41.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 2.22 110.211 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.05 5.85 5.7 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 121.819 1.679 . . . . 1.21 113.657 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -103.42 14.38 31.53 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.718 -0.393 . . . . 3.76 111.287 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mmtt -100.53 154.22 18.73 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.051 0.453 . . . . 2.7 110.291 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -74.48 -34.04 63.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.936 -0.574 . . . . 4.13 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CE2' HG22 ' A' ' 58' ' ' VAL . 66.0 p-90 -83.86 -26.48 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.478 -0.489 . . . . 1.41 110.378 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 57' ' ' TRP . 60.0 t -78.41 -43.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.079 0 N-CA-C 109.699 -0.482 . . . . 1.42 109.699 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -63.49 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 2.72 109.737 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -36.55 64.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.652 -0.704 . . . . 1.87 109.273 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.327 -0.851 . . . . 1.21 109.901 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.96 -47.02 84.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.73 . . . . 2.25 110.225 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -65.66 -35.87 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 3.17 109.763 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' HD21 ' A' ' 20' ' ' LEU . 53.3 t80 -64.57 -48.21 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.311 -0.859 . . . . 1.93 109.862 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 77.2 mt -70.56 -42.29 71.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.341 0.591 . . . . 1.83 109.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.14 -22.67 67.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.583 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 116.415 -0.357 . . . . 3.38 111.607 -179.27 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.102 0.477 . . . . 2.06 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.2 164.52 24.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 3.02 110.434 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 60.83 74.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.838 -0.619 . . . . 3.69 110.434 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.1 mt -64.49 140.26 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.656 -0.702 . . . . 1.94 110.401 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 136.47 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.767 -0.651 . . . . 1.93 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -97.55 -33.87 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 3.36 110.227 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -77.46 170.18 17.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.709 -0.678 . . . . 4.77 110.196 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mtmt -100.1 126.99 46.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 3.52 110.506 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.6 mt -89.92 139.94 27.61 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.728 -0.669 . . . . 1.78 109.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -77.92 158.84 31.06 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.467 1.445 . . . . 1.73 112.921 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 64' ' ' TYR . 49.3 mt -80.45 -40.19 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.402 -0.817 . . . . 1.72 111.096 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.44 -30.75 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 2.62 110.915 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -90.36 -12.61 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 4.6 111.424 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.12 147.49 40.5 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.434 0.635 . . . . 1.66 111.077 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -117.87 -40.51 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.167 -0.924 . . . . 3.03 110.012 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.1 p -172.28 -171.2 0.8 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 2.25 109.942 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -153.32 153.97 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 2.53 110.639 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 101.42 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 4.06 110.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -71.87 157.47 37.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.619 . . . . 3.03 110.243 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mt -129.17 132.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.17 110.324 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -171.7 35.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.57 -0.741 . . . . 2.73 110.126 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 t -66.1 -50.67 63.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 3.81 110.553 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.4 -28.44 3.44 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.997 -0.841 . . . . 2.97 110.997 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.69 -32.5 71.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.072 0.463 . . . . 5.7 110.488 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.57 156.98 87.48 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.905 -0.589 . . . . 2.17 110.366 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.4 -27.02 2.97 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.778 1.652 . . . . 2.44 112.688 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 127.4 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 3.85 110.618 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.19 120.65 17.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.741 -0.663 . . . . 3.72 110.229 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.22 -178.91 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 1.66 110.702 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.23 158.59 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 1.54 110.186 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.6 mt -127.04 131.29 71.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.454 -0.794 . . . . 2.16 109.598 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -111.89 149.58 31.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.258 0.552 . . . . 1.49 111.064 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -125.56 138.78 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 3.38 109.631 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -103.85 -172.29 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 2.04 110.392 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -3.55 49.68 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.942 -0.572 . . . . 3.6 111.614 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -94.31 19.25 9.73 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.705 -0.398 . . . . 3.0 111.267 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.73 32.47 22.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.021 0.439 . . . . 2.86 110.866 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -121.57 147.23 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.983 -0.553 . . . . 3.77 110.496 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -112.91 155.12 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 2.28 110.468 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.481 HG22 HD11 ' A' ' 49' ' ' ILE . 54.2 mt -142.09 159.57 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.816 -0.629 . . . . 2.53 110.382 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.91 139.75 30.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.65 . . . . 1.82 110.317 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.15 144.37 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 1.47 110.706 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -89.97 144.97 32.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.795 -0.639 . . . . 2.22 109.865 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.23 0.97 9.58 Favored 'Trans proline' 0 N--CA 1.477 0.51 0 C-N-CA 121.505 1.47 . . . . 1.21 113.55 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 24.11 13.42 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.641 -0.424 . . . . 3.76 110.838 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -100.41 169.61 8.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.05 0.452 . . . . 2.7 110.46 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -83.31 -47.66 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.578 . . . . 4.13 110.767 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 68.2 p-90 -74.75 -27.45 60.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 1.41 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG23 ' CZ3' ' A' ' 57' ' ' TRP . 47.8 t -75.31 -41.55 43.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 109.245 -0.65 . . . . 1.42 109.245 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.23 -47.01 86.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.636 -0.711 . . . . 2.72 109.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -32.83 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.453 -0.794 . . . . 1.87 109.19 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -65.71 -52.81 48.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.438 -0.801 . . . . 1.21 110.474 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 ptm -63.27 -39.76 95.5 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.403 -0.519 . . . . 2.25 110.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -68.79 -36.23 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.431 0.634 . . . . 3.17 109.552 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CD2' HD21 ' A' ' 20' ' ' LEU . 28.3 t80 -63.0 -52.63 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.184 -0.917 . . . . 1.93 109.683 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 26' ' ' TYR . 40.9 mt -65.59 -42.86 91.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 1.83 110.113 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.54 -33.05 74.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 1.95 110.223 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.802 -0.635 . . . . 3.38 110.546 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 121.103 0.478 . . . . 2.06 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -114.64 -39.13 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 3.02 110.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -87.65 88.51 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 3.69 110.551 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.39 139.86 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.859 -0.61 . . . . 1.94 110.359 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 138.48 49.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 1.93 110.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -99.6 -33.59 10.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.85 -0.614 . . . . 3.36 110.33 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -77.24 139.15 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.666 -0.697 . . . . 4.77 110.247 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 20.2 mttt -72.67 130.56 40.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 3.52 110.534 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.82 139.93 27.77 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.647 -0.706 . . . . 1.78 109.891 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -76.87 157.78 34.89 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.311 1.341 . . . . 1.73 112.943 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 49.5 mt -80.52 -46.67 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 1.72 111.224 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.13 -28.95 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.634 . . . . 2.62 111.351 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.92 -12.7 38.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 4.6 111.544 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.9 145.32 40.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.264 0.554 . . . . 1.66 111.079 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -117.0 -40.59 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.383 -0.826 . . . . 3.03 110.211 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 p -179.35 158.78 0.88 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.831 -0.622 . . . . 2.25 109.952 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 19.2 p90 -120.04 161.54 20.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.152 0.501 . . . . 2.53 110.911 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -140.95 93.81 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 4.06 110.249 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -76.36 147.6 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 3.03 110.529 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.4 mt -118.13 130.53 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.674 -0.694 . . . . 2.17 110.297 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -164.91 32.43 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.435 -0.802 . . . . 2.73 110.225 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -71.91 -60.81 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.833 -0.621 . . . . 3.81 110.765 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.99 -22.37 0.99 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.322 -0.711 . . . . 2.97 111.322 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -69.23 -31.14 69.5 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.942 0.401 . . . . 5.7 110.484 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -82.41 151.37 65.51 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.494 . . . . 2.17 110.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.08 -25.95 3.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 121.85 1.7 . . . . 2.44 112.808 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -127.23 135.75 51.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 3.85 110.607 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -85.63 95.14 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.821 -0.627 . . . . 3.72 110.182 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 -177.75 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 1.66 110.52 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.2 158.1 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.788 -0.642 . . . . 1.54 110.405 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.9 mt -128.88 130.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 2.16 109.718 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 26' ' ' TYR . 34.2 m-85 -109.53 147.48 32.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 1.49 110.751 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -125.21 127.98 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 3.38 109.861 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -89.88 -176.62 4.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.659 -0.7 . . . . 2.04 110.373 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.96 -0.18 34.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.986 -0.552 . . . . 3.6 111.708 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.51 19.96 9.05 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.691 -0.404 . . . . 3.0 111.228 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.92 36.61 21.75 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 2.86 110.736 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -126.22 157.86 37.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 3.77 110.465 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.14 154.44 37.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.867 -0.606 . . . . 2.28 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 49' ' ' ILE . 52.4 mt -142.85 159.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 2.53 110.352 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.9 140.58 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.82 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.8 154.41 43.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.47 110.91 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.91 149.29 36.69 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.549 -0.75 . . . . 2.22 109.798 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -80.72 4.85 6.58 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 121.599 1.532 . . . . 1.21 113.656 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -110.32 19.15 19.15 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.609 -0.436 . . . . 3.76 111.107 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -100.74 155.53 17.85 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.073 0.463 . . . . 2.7 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -76.01 -31.95 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 4.13 110.69 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.431 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 68.1 p-90 -84.46 -27.15 27.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 1.41 110.496 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 98.8 t -74.59 -44.15 47.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.283 -0.636 . . . . 1.42 109.283 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.04 -47.68 85.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 2.72 109.714 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -33.37 75.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.371 -0.831 . . . . 1.87 109.327 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.69 -52.94 47.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.572 -0.74 . . . . 1.21 110.132 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.417 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 19.7 ttp -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.813 -0.63 . . . . 2.25 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -41.87 74.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 3.17 109.917 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 56.4 t80 -62.09 -39.94 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.334 -0.848 . . . . 1.93 109.884 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.43 -38.01 63.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.411 0.624 . . . . 1.83 109.935 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.74 -34.45 77.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.049 -0.978 . . . . 1.95 110.93 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.418 0.525 . . . . 3.38 112.418 -179.355 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.092 0.472 . . . . 2.06 110.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 60.81 30.86 19.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.835 -0.62 . . . . 3.02 110.697 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -174.89 83.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 3.69 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.92 146.14 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 1.94 110.423 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.5 140.04 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 1.93 110.463 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.92 -37.03 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 3.36 110.223 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -75.12 115.75 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 4.77 110.153 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -59.08 132.7 54.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 3.52 110.846 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.87 139.86 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.749 -0.659 . . . . 1.78 109.999 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -78.18 158.67 30.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.472 1.448 . . . . 1.73 112.961 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 32.1 mt -80.63 -42.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.311 -0.859 . . . . 1.72 111.128 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -58.68 -29.36 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 2.62 111.097 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -93.9 -10.2 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 4.6 111.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.87 145.84 46.61 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.339 0.59 . . . . 1.66 111.031 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -116.85 -42.0 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.359 -0.837 . . . . 3.03 109.997 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p 179.76 159.02 0.73 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.715 -0.675 . . . . 2.25 110.057 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 5.7 p90 -122.01 160.95 23.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.065 0.46 . . . . 2.53 110.64 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -138.58 112.46 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.929 -0.578 . . . . 4.06 110.563 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -93.8 146.82 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.737 -0.665 . . . . 3.03 110.29 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.74 136.31 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.618 -0.719 . . . . 2.17 110.218 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -157.98 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.73 110.605 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -80.15 -172.58 3.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 3.81 110.376 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.88 43.92 1.98 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.656 -0.978 . . . . 2.97 110.656 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -121.03 -65.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.147 0.499 . . . . 5.7 110.509 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.0 150.13 94.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.691 -0.686 . . . . 2.17 110.419 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -82.87 -30.06 1.1 Allowed 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 121.872 1.714 . . . . 2.44 112.664 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -120.9 101.39 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 3.85 110.423 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -61.6 108.02 0.9 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 3.72 110.376 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.55 -178.44 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 1.66 110.606 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -121.41 158.55 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 1.54 110.206 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 mp -134.77 130.29 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.342 -0.845 . . . . 2.16 109.708 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 55.5 m-85 -109.04 148.66 30.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.316 0.579 . . . . 1.49 111.187 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -121.15 140.75 51.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.297 -0.865 . . . . 3.38 109.657 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -107.81 -167.5 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.466 -0.788 . . . . 2.04 110.1 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.02 26.39 4.71 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.38 -0.373 . . . . 3.6 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.28 19.99 12.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.333 -0.394 . . . . 3.0 110.92 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 34.14 20.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.113 0.482 . . . . 2.86 110.654 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -128.41 150.19 50.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 3.77 110.534 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.47 145.37 48.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.174 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 4.4 mp -136.73 158.56 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 2.53 109.993 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 m -95.02 149.91 20.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.253 -0.885 . . . . 1.82 110.388 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.98 44.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.669 -0.696 . . . . 1.47 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.67 148.09 35.01 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.643 -0.708 . . . . 2.22 109.879 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.02 3.56 7.5 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 121.627 1.551 . . . . 1.21 113.626 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -110.25 19.09 19.25 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.657 -0.417 . . . . 3.76 111.095 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -100.7 161.88 13.3 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 2.7 110.485 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -81.0 -43.02 20.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.62 . . . . 4.13 110.65 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.425 ' CE2' HG22 ' A' ' 58' ' ' VAL . 65.7 p-90 -73.64 -28.96 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 1.41 110.245 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG22 ' CE2' ' A' ' 57' ' ' TRP . 87.0 t -73.68 -41.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.229 -0.656 . . . . 1.42 109.229 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.02 -46.4 89.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 2.72 109.67 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 1.87 109.229 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.5 -54.52 31.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.321 -0.854 . . . . 1.21 110.299 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.3 ptm -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.03 -0.532 . . . . 2.25 110.268 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -66.7 -37.23 84.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.356 0.598 . . . . 3.17 109.843 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 37.1 t80 -63.6 -51.71 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.854 . . . . 1.93 109.782 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.68 -40.21 80.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 1.83 109.857 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.33 -29.63 70.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.269 -0.878 . . . . 1.95 110.384 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 121.058 0.456 . . . . 3.38 110.385 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.102 0.477 . . . . 2.06 110.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -123.32 -40.2 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.743 -0.662 . . . . 3.02 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -70.87 70.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.389 0.614 . . . . 3.69 110.21 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.75 163.17 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.94 110.601 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.91 139.86 30.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.76 -0.654 . . . . 1.93 110.524 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.33 -35.44 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 3.36 110.129 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -74.44 167.41 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 4.77 110.125 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -99.94 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.231 0.539 . . . . 3.52 110.553 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -89.87 139.7 27.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.625 -0.716 . . . . 1.78 109.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -77.81 158.52 31.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.32 1.347 . . . . 1.73 112.813 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 26.6 mt -80.53 -40.06 26.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 1.72 110.888 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.66 -30.23 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.864 -0.607 . . . . 2.62 110.873 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ttp85 -92.49 -10.6 37.21 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.018 -0.537 . . . . 4.6 111.462 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.7 143.7 39.85 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.352 0.596 . . . . 1.66 111.001 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.45 -34.84 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.384 -0.826 . . . . 3.03 110.273 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 -173.2 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.876 -0.602 . . . . 2.25 109.766 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.3 p90 -151.85 153.38 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.109 0.48 . . . . 2.53 110.603 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 95.47 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 4.06 110.514 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -73.77 147.66 43.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 3.03 110.193 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.7 mt -130.64 136.34 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.704 -0.68 . . . . 2.17 110.354 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -171.92 35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.675 -0.693 . . . . 2.73 110.37 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -69.63 -172.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 3.81 110.503 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.3 -30.26 14.55 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.794 -0.922 . . . . 2.97 110.794 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.9 -36.0 75.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.058 0.456 . . . . 5.7 110.509 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 138.99 92.44 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.935 -0.575 . . . . 2.17 110.629 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -83.23 -33.7 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.638 1.559 . . . . 2.44 112.138 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -120.84 -172.7 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.42 -0.809 . . . . 3.85 110.097 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -129.67 137.67 50.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 3.72 110.359 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 -178.25 4.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.963 -0.562 . . . . 1.66 110.786 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.37 159.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.627 -0.715 . . . . 1.54 110.028 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.09 130.11 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 2.16 109.951 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.56 150.85 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.277 0.561 . . . . 1.49 110.982 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -129.49 128.05 42.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 3.38 109.788 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -89.78 -166.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.465 -0.789 . . . . 2.04 110.113 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -97.34 28.66 3.57 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.212 -0.449 . . . . 3.6 110.684 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 20.89 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.194 -0.457 . . . . 3.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 36.34 19.84 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.049 0.452 . . . . 2.86 110.675 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -131.83 152.21 51.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 3.77 110.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -119.36 154.51 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.817 -0.629 . . . . 2.28 110.335 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.77 159.53 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 2.53 110.308 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -98.71 141.58 31.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.82 110.207 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.79 150.15 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.832 -0.622 . . . . 1.47 110.817 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.06 143.22 29.53 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.606 -0.724 . . . . 2.22 109.731 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.63 -0.19 10.51 Favored 'Trans proline' 0 N--CA 1.475 0.428 0 C-N-CA 121.494 1.462 . . . . 1.21 113.458 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -110.28 24.28 13.19 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.705 -0.398 . . . . 3.76 110.811 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 175.13 5.81 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.998 0.428 . . . . 2.7 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -89.1 -50.44 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.931 -0.577 . . . . 4.13 110.711 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CZ3' HG23 ' A' ' 58' ' ' VAL . 68.4 p-90 -71.04 -29.0 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 1.41 110.14 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG23 ' CZ3' ' A' ' 57' ' ' TRP . 53.9 t -72.1 -40.13 66.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.167 -0.679 . . . . 1.42 109.167 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.36 -41.51 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 2.72 109.408 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -33.66 71.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.492 -0.776 . . . . 1.87 109.082 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -68.26 -54.04 20.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.424 -0.807 . . . . 1.21 110.338 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -63.91 -34.88 78.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.085 -0.507 . . . . 2.25 110.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -72.61 -36.79 68.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.503 0.668 . . . . 3.17 109.317 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 27.9 t80 -62.68 -52.32 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.042 -0.981 . . . . 1.93 109.717 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 26' ' ' TYR . 74.6 mt -64.59 -41.26 96.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.714 -0.675 . . . . 1.83 110.135 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -34.54 76.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.306 -0.861 . . . . 1.95 110.226 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.859 -0.609 . . . . 3.38 111.653 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.163 0.506 . . . . 2.06 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.71 163.73 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.83 -0.623 . . . . 3.02 109.923 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.43 65.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.657 0.742 . . . . 3.69 109.158 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.3 mt -52.98 143.23 17.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.07 -0.968 . . . . 1.94 111.228 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 138.55 57.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.391 -0.822 . . . . 1.93 110.896 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -105.46 -33.94 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.672 -0.695 . . . . 3.36 110.09 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -79.89 127.43 32.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.703 -0.68 . . . . 4.77 110.133 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 15.1 mttm -61.49 130.48 46.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.593 . . . . 3.52 110.659 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.9 140.08 27.66 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.574 -0.739 . . . . 1.78 109.831 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -76.74 155.88 35.17 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.423 1.416 . . . . 1.73 113.174 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 50.1 mt -80.83 -47.47 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.091 -0.959 . . . . 1.72 111.269 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -55.81 -29.01 59.06 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.772 -0.649 . . . . 2.62 111.353 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -89.85 -13.69 35.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 4.6 111.464 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -71.14 145.65 49.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.362 0.601 . . . . 1.66 111.095 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -117.32 -41.67 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.242 -0.89 . . . . 3.03 110.055 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 t 179.78 154.33 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.707 -0.678 . . . . 2.25 109.96 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -118.43 158.9 24.43 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.137 0.494 . . . . 2.53 110.672 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -135.32 110.35 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.641 . . . . 4.06 110.312 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -79.17 142.02 36.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 3.03 110.523 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -115.88 133.24 62.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.439 -0.801 . . . . 2.17 110.19 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -170.0 34.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.638 -0.71 . . . . 2.73 110.316 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -169.64 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.724 -0.671 . . . . 3.81 110.461 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.42 -15.42 40.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.917 -0.583 . . . . 2.97 111.708 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -96.78 26.85 4.26 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.733 -0.387 . . . . 5.7 111.158 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.23 130.41 23.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.691 -0.404 . . . . 2.17 109.939 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -84.84 -26.42 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 121.607 1.538 . . . . 2.44 112.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -125.48 98.98 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.792 -0.64 . . . . 3.85 110.546 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -66.25 154.02 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.903 -0.589 . . . . 3.72 110.367 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.15 -173.8 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 1.66 110.517 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -119.43 159.44 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.029 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.9 mt -127.32 142.37 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 2.16 109.642 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 41.5 m-85 -122.83 147.41 46.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.424 0.631 . . . . 1.49 111.098 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -124.3 140.69 52.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 3.38 109.699 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.3 p -108.04 -164.23 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.474 -0.785 . . . . 2.04 109.904 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -97.05 29.09 3.24 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.901 0.381 . . . . 3.6 110.789 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.79 18.84 9.43 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.24 -0.436 . . . . 3.0 111.045 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.01 19.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.207 0.527 . . . . 2.86 110.745 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -134.24 154.65 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 3.77 110.613 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.57 149.57 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.663 -0.699 . . . . 2.28 110.494 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.71 151.6 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 2.53 110.181 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -88.6 143.27 27.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.911 -0.586 . . . . 1.82 110.248 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.32 160.2 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.75 -0.659 . . . . 1.47 110.564 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.86 155.03 48.23 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 2.22 109.904 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.29 4.21 6.79 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 121.71 1.607 . . . . 1.21 113.576 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 10.79 40.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.66 -0.416 . . . . 3.76 111.274 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.52 154.8 18.25 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.041 0.448 . . . . 2.7 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 4.13 110.603 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 67.8 p-90 -78.61 -27.22 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 1.41 110.482 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 94.4 t -74.43 -42.23 49.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.039 -0.726 . . . . 1.42 109.039 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.21 -48.14 81.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.735 . . . . 2.72 109.644 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -34.16 77.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.367 -0.833 . . . . 1.87 109.409 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -65.25 -52.75 52.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.393 -0.821 . . . . 1.21 110.132 179.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.86 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.809 -0.632 . . . . 2.25 110.257 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.8 -38.78 89.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 3.17 109.764 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 60.4 t80 -64.4 -51.48 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.281 -0.872 . . . . 1.93 109.581 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.7 -40.73 92.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 1.83 110.012 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.15 -38.15 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.299 -0.864 . . . . 1.95 110.232 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.761 -0.654 . . . . 3.38 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 121.154 0.502 . . . . 2.06 110.32 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -119.21 153.06 35.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 3.02 110.117 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.33 82.66 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.69 110.21 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.06 140.26 57.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.94 110.559 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 145.08 56.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.679 -0.691 . . . . 1.93 110.439 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -100.19 -58.6 1.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 3.36 110.181 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -63.15 127.02 29.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.658 -0.701 . . . . 4.77 110.106 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.07 140.05 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 3.52 110.863 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.3 mt -89.81 139.7 27.75 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.547 -0.751 . . . . 1.78 109.702 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -74.65 156.48 44.56 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.294 1.329 . . . . 1.73 112.957 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 50.4 mt -80.46 -43.38 20.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.144 -0.935 . . . . 1.72 111.242 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -58.78 -29.5 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 2.62 111.013 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -89.77 -14.1 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 4.6 111.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.65 146.44 46.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.495 0.664 . . . . 1.66 111.281 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -120.71 -41.79 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.132 -0.94 . . . . 3.03 110.199 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.63 156.32 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.589 . . . . 2.25 109.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.43 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 18.5 p90 -119.97 171.04 8.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.171 0.51 . . . . 2.53 110.86 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.13 112.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.679 . . . . 4.06 110.255 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -87.16 149.73 24.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.886 -0.597 . . . . 3.03 110.534 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 29' ' ' ILE . 55.7 mt -118.87 138.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.604 -0.726 . . . . 2.17 110.302 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.2 28.27 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.76 -0.655 . . . . 2.73 110.422 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -76.33 174.38 10.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.236 0.541 . . . . 3.81 110.675 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.88 -22.46 20.6 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.227 -0.749 . . . . 2.97 111.227 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -69.46 -30.19 68.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.847 0.356 . . . . 5.7 110.683 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.6 m -77.74 153.11 80.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.205 -0.452 . . . . 2.17 110.268 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.88 -23.24 3.89 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 121.931 1.754 . . . . 2.44 113.152 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.35 162.56 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.322 0.582 . . . . 3.85 111.053 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -101.13 116.84 33.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.338 -0.847 . . . . 3.72 110.035 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.11 -178.39 5.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.15 0.5 . . . . 1.66 110.951 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.13 158.85 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.561 -0.745 . . . . 1.54 110.261 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mp -127.19 130.89 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.497 -0.774 . . . . 2.16 109.417 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 37.4 m-85 -109.29 147.99 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.405 0.621 . . . . 1.49 110.739 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -126.98 130.58 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.859 . . . . 3.38 109.85 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.3 p -90.66 -166.41 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.67 . . . . 2.04 109.825 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -97.58 29.26 3.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 3.6 110.779 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -124.57 21.75 8.45 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.206 -0.452 . . . . 3.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.21 35.18 18.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.128 0.49 . . . . 2.86 110.556 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -125.66 151.13 46.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 3.77 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.03 152.52 38.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.889 -0.596 . . . . 2.28 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG22 HD11 ' A' ' 49' ' ' ILE . 56.0 mt -142.49 159.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.649 -0.705 . . . . 2.53 110.067 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.7 m -95.18 149.86 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 1.82 110.423 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.74 155.68 39.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.727 -0.67 . . . . 1.47 110.713 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -106.2 146.96 34.0 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.706 -0.679 . . . . 2.22 109.786 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -80.36 6.17 5.56 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 121.668 1.579 . . . . 1.21 113.586 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -109.59 17.21 21.58 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.69 -0.404 . . . . 3.76 111.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -100.58 163.03 12.53 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.061 0.458 . . . . 2.7 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -80.57 -39.57 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.858 -0.61 . . . . 4.13 110.589 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.426 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 67.1 p-90 -77.62 -27.65 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 1.41 110.559 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 99.7 t -75.89 -41.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.127 -0.694 . . . . 1.42 109.127 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -61.87 -47.54 84.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.72 109.696 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.4 80.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 1.87 109.322 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -63.83 -50.79 67.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.348 -0.842 . . . . 1.21 110.176 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.03 -44.16 97.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.802 -0.635 . . . . 2.25 110.453 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.359 0.6 . . . . 3.17 109.74 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 81.4 t80 -63.4 -49.72 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.24 -0.891 . . . . 1.93 109.652 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.87 -42.7 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.654 . . . . 1.83 109.966 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.77 -26.94 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.257 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 116.009 -0.541 . . . . 3.38 112.06 -179.744 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.164 0.507 . . . . 2.06 110.205 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -105.14 156.42 18.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 3.02 110.24 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 61.21 81.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 3.69 110.421 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.4 140.11 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 1.94 110.285 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 137.76 57.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.64 . . . . 1.93 110.529 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -34.7 10.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.912 -0.586 . . . . 3.36 109.973 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.58 147.51 41.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 4.77 110.209 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -83.75 126.73 33.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 3.52 110.562 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.6 mt -89.66 139.93 28.01 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.56 -0.746 . . . . 1.78 109.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -75.92 156.45 38.94 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.325 1.35 . . . . 1.73 112.939 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 73.1 mt -80.7 -38.32 29.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.187 -0.915 . . . . 1.72 111.171 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -58.95 -30.65 68.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 2.62 111.1 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -90.02 -12.4 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 4.6 111.52 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.49 147.22 42.1 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.479 0.657 . . . . 1.66 111.244 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -118.69 -40.39 2.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.205 -0.907 . . . . 3.03 110.303 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -175.72 160.91 2.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.829 -0.623 . . . . 2.25 109.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.434 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 11.4 p90 -127.31 163.21 24.46 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.478 -0.489 . . . . 2.53 110.839 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 107.57 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 4.06 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -91.9 142.53 27.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.608 . . . . 3.03 110.415 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 29' ' ' ILE . 54.7 mt -123.06 144.78 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 2.17 110.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.44 31.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 2.73 110.477 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -78.43 -172.29 2.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.928 -0.578 . . . . 3.81 110.549 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.94 37.75 3.66 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.759 -0.936 . . . . 2.97 110.759 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -118.82 -42.89 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 5.7 110.407 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -73.11 159.23 85.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 115.745 -0.661 . . . . 2.17 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.37 -26.59 3.22 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.797 1.665 . . . . 2.44 112.572 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.43 138.82 25.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 3.85 110.463 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.7 154.82 41.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.823 -0.626 . . . . 3.72 110.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.02 -177.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.579 . . . . 1.66 110.546 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.05 159.59 43.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 1.54 110.206 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mp -128.46 130.47 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.775 . . . . 2.16 109.661 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CE1' ' CB ' ' A' ' 26' ' ' TYR . 34.8 m-85 -109.24 149.07 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.381 0.61 . . . . 1.49 111.177 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.33 131.59 53.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.219 -0.9 . . . . 3.38 109.782 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 p -99.23 -165.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 2.04 109.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.67 29.51 3.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.929 0.395 . . . . 3.6 110.697 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.98 18.76 10.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.143 -0.48 . . . . 3.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.6 33.66 22.09 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.026 0.441 . . . . 2.86 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -132.06 146.05 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.061 -0.518 . . . . 3.77 110.488 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.84 156.41 23.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.635 . . . . 2.28 110.326 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.489 HG22 HD11 ' A' ' 49' ' ' ILE . 52.9 mt -141.84 159.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.8 -0.636 . . . . 2.53 110.26 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -91.51 144.74 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.47 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.75 148.11 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 1.47 110.564 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -96.35 146.94 32.19 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.742 -0.663 . . . . 2.22 109.81 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -80.29 4.67 6.62 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 121.585 1.524 . . . . 1.21 113.458 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -109.54 15.56 22.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.771 -0.372 . . . . 3.76 111.113 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.29 161.45 13.59 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.042 0.449 . . . . 2.7 110.085 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -72.96 -61.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 4.13 110.791 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CE2' HG22 ' A' ' 58' ' ' VAL . 59.5 p-90 -57.3 -30.92 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 1.41 110.611 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CE2' ' A' ' 57' ' ' TRP . 62.6 t -72.18 -37.84 60.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.814 -0.81 . . . . 1.42 108.814 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -66.12 -46.55 77.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.515 -0.766 . . . . 2.72 109.355 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.06 -32.23 72.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.428 -0.805 . . . . 1.87 109.138 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 7.4 m -64.69 -53.99 38.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.543 -0.753 . . . . 1.21 110.43 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 ptm -63.3 -41.35 98.94 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 2.25 110.383 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.92 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.299 0.571 . . . . 3.17 109.781 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 52.5 t80 -64.59 -52.87 55.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.375 -0.83 . . . . 1.93 109.588 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.5 -39.79 92.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.545 -0.752 . . . . 1.83 110.006 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.429 -0.805 . . . . 1.95 110.045 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 CA--C 1.535 0.366 0 CA-C-N 115.757 -0.656 . . . . 3.38 111.617 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.136 0.493 . . . . 2.06 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -97.57 -33.25 11.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.718 -0.674 . . . . 3.02 110.457 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -90.13 76.7 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.78 -0.646 . . . . 3.69 110.429 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.94 140.2 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 1.94 110.373 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.65 140.2 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 1.93 110.245 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -93.75 -55.91 3.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.895 -0.593 . . . . 3.36 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -63.31 170.61 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.709 -0.678 . . . . 4.77 110.026 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -98.12 139.24 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 3.52 110.506 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.6 mt -89.9 139.62 27.6 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 115.698 -0.683 . . . . 1.78 109.865 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -76.95 155.42 34.05 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 121.382 1.388 . . . . 1.73 112.92 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 47.4 mt -80.94 -44.58 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.228 -0.896 . . . . 1.72 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.87 -29.39 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 2.62 111.151 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.76 -12.46 31.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 4.6 111.241 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.41 140.86 52.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.203 0.525 . . . . 1.66 110.796 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.54 -36.82 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.483 -0.781 . . . . 3.03 110.149 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -176.41 -177.7 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.669 -0.696 . . . . 2.25 109.802 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.434 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 1.7 p90 -150.57 153.21 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.14 0.495 . . . . 2.53 110.706 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -134.01 119.82 19.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.684 -0.689 . . . . 4.06 110.573 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -101.12 147.98 25.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 3.03 110.33 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.91 144.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.716 -0.675 . . . . 2.17 110.388 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.4 m -163.83 31.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.73 110.447 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -80.8 -172.36 3.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.927 -0.579 . . . . 3.81 110.498 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -103.29 32.15 7.9 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.807 -0.917 . . . . 2.97 110.807 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.38 -37.5 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.105 0.478 . . . . 5.7 110.428 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 m -86.9 155.34 55.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 2.17 110.385 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.35 -27.84 2.62 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.861 1.708 . . . . 2.44 112.569 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.77 124.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 3.85 110.371 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -60.68 162.02 7.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.853 -0.612 . . . . 3.72 110.513 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 -177.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 1.66 110.513 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.05 158.66 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.758 -0.655 . . . . 1.54 110.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mt -127.85 130.61 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.323 -0.853 . . . . 2.16 109.534 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 61' ' ' SER . 38.9 m-85 -109.07 148.34 30.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.261 0.553 . . . . 1.49 110.866 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -122.7 138.49 54.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.471 -0.786 . . . . 3.38 109.751 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -104.01 -166.82 1.29 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.336 -0.847 . . . . 2.04 109.962 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.49 29.07 3.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 3.6 110.684 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 19.47 10.11 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.256 -0.429 . . . . 3.0 111.041 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 37.06 21.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.176 0.512 . . . . 2.86 110.662 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -130.68 152.29 50.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.77 110.581 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.56 146.94 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.71 -0.677 . . . . 2.28 110.241 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mm -135.03 144.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 2.53 110.426 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.0 m -82.79 145.14 29.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.816 -0.629 . . . . 1.82 110.148 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.01 140.5 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.6 . . . . 1.47 110.703 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -91.74 150.48 40.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 2.22 110.071 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 10.15 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.526 0 C-N-CA 121.735 1.623 . . . . 1.21 113.741 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 13.77 22.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.716 -0.394 . . . . 3.76 111.411 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.72 152.31 20.62 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.479 -0.488 . . . . 2.7 110.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -72.54 -31.71 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.665 . . . . 4.13 110.998 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 68.2 p-90 -83.89 -27.89 28.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.436 -0.505 . . . . 1.41 110.257 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG22 ' CE2' ' A' ' 57' ' ' TRP . 57.3 t -75.07 -46.73 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.375 -0.602 . . . . 1.42 109.375 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -39.12 88.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.824 -0.625 . . . . 2.72 109.942 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -34.72 67.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.063 -0.717 . . . . 1.87 109.063 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.2 m -64.82 -51.77 60.36 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.32 -0.855 . . . . 1.21 110.205 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -63.51 -41.82 98.5 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.25 110.249 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -64.62 -36.02 82.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 3.17 109.801 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 42.9 t80 -62.83 -54.82 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.358 -0.837 . . . . 1.93 109.743 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.434 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 75.9 mt -64.8 -41.09 96.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.59 -0.732 . . . . 1.83 109.953 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.37 -34.7 77.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 1.95 110.019 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 CA--C 1.534 0.343 0 CA-C-N 115.723 -0.671 . . . . 3.38 111.469 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.192 0.52 . . . . 2.06 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -116.39 -39.53 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 3.02 110.436 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.15 91.6 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.619 . . . . 3.69 110.478 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.14 140.61 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.94 110.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.92 146.1 55.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 1.93 110.589 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -107.43 -37.08 6.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.65 . . . . 3.36 110.296 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.17 129.07 34.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 4.77 110.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 1.2 pttp -61.45 138.66 58.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 3.52 110.653 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.9 mt -96.98 140.1 21.91 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.573 -0.739 . . . . 1.78 109.923 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -78.02 157.6 30.62 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.349 1.366 . . . . 1.73 112.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 32.8 mt -80.68 -42.91 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 1.72 111.132 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.4 -29.73 66.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 2.62 111.086 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -91.44 -12.82 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 4.6 111.369 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.8 145.54 44.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.346 0.593 . . . . 1.66 111.083 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.06 -41.27 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.03 110.15 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -169.89 -177.03 2.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.798 -0.637 . . . . 2.25 109.934 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.2 p90 -152.67 148.47 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.29 0.567 . . . . 2.53 110.809 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.88 108.96 14.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 4.06 110.177 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -80.53 145.01 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.404 0.621 . . . . 3.03 110.649 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 mm -104.67 -158.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.284 -0.871 . . . . 2.17 108.654 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.78 29.26 1.5 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.971 0.415 . . . . 2.73 110.347 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 t -75.96 -32.71 59.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 3.81 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.42 -31.2 2.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.774 -0.931 . . . . 2.97 110.774 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -32.64 61.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 5.7 110.89 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.74 149.16 63.35 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.059 -0.518 . . . . 2.17 110.482 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -83.52 -29.11 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.862 1.708 . . . . 2.44 112.822 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -113.91 174.46 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 3.85 110.784 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -108.74 140.07 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.611 -0.722 . . . . 3.72 110.123 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.25 -173.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.182 0.515 . . . . 1.66 110.978 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -144.46 159.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.474 -0.784 . . . . 1.54 109.592 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.1 mt -127.73 134.41 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 2.16 109.602 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -112.89 148.57 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.275 0.56 . . . . 1.49 110.955 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -123.53 138.52 54.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.392 -0.822 . . . . 3.38 109.853 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.8 p -101.64 -169.75 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.396 -0.82 . . . . 2.04 110.142 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -98.48 29.34 3.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 3.6 110.763 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.21 22.2 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 3.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 45.68 9.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.329 0.585 . . . . 2.86 110.606 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.59 152.27 45.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.757 -0.656 . . . . 3.77 110.45 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -122.47 152.28 40.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 2.28 110.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.447 HG22 HD11 ' A' ' 49' ' ' ILE . 53.7 mt -137.93 159.76 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 2.53 110.223 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.1 m -98.18 144.51 27.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 1.82 110.413 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.03 153.03 39.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 1.47 110.814 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -102.34 145.83 31.22 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.603 -0.726 . . . . 2.22 109.75 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.44 1.67 8.54 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 121.512 1.474 . . . . 1.21 113.701 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -100.82 13.49 34.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.621 -0.432 . . . . 3.76 111.149 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -100.68 156.63 17.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.113 0.482 . . . . 2.7 110.387 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.26 -37.55 60.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.87 -0.604 . . . . 4.13 110.919 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.419 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 65.8 p-90 -79.09 -29.15 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 1.41 110.45 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 58.5 t -74.28 -41.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.443 -0.577 . . . . 1.42 109.443 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -63.04 -46.26 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 2.72 109.711 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -35.69 79.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.539 -0.755 . . . . 1.87 109.341 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -65.06 -50.62 65.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.341 -0.845 . . . . 1.21 110.042 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.3 ttm -62.92 -45.04 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 2.25 110.098 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -64.47 -34.58 78.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.809 -0.632 . . . . 3.17 109.708 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.5 t80 -62.92 -53.81 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 1.93 109.978 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 26' ' ' TYR . 51.1 mt -65.15 -40.57 94.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.445 0.64 . . . . 1.83 110.03 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.81 -31.65 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.14 -0.936 . . . . 1.95 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 116.034 -0.53 . . . . 3.38 110.505 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.247 0.546 . . . . 2.06 110.787 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.14 -46.92 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.568 -0.742 . . . . 3.02 110.338 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.06 86.04 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 3.69 110.319 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.57 140.93 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.721 -0.672 . . . . 1.94 110.411 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 142.94 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 1.93 110.655 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -105.18 -35.89 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 3.36 110.212 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -82.59 129.46 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.677 . . . . 4.77 110.113 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 6.4 pttt -61.2 142.16 56.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 3.52 110.858 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.12 140.06 21.86 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.546 -0.752 . . . . 1.78 109.847 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -77.83 155.61 30.76 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.346 1.364 . . . . 1.73 112.94 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD21 ' CD2' ' A' ' 64' ' ' TYR . 40.5 mt -80.85 -40.66 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.249 -0.887 . . . . 1.72 110.974 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -58.74 -30.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.62 111.03 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -94.33 -10.16 33.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.527 . . . . 4.6 111.335 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.43 142.09 44.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.35 0.595 . . . . 1.66 110.994 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.46 -40.77 3.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.371 -0.831 . . . . 3.03 110.056 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 t -178.79 163.1 1.39 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.73 -0.668 . . . . 2.25 109.767 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -125.92 153.23 44.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.265 0.555 . . . . 2.53 111.062 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -127.56 107.36 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 4.06 110.138 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -66.14 148.84 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 3.03 110.744 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -100.48 136.71 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.378 -0.828 . . . . 2.17 109.936 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t 174.8 62.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.589 -0.732 . . . . 2.73 109.862 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -59.99 -39.62 86.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 3.81 110.849 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.22 -60.39 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.595 -1.002 . . . . 2.97 110.595 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 32.68 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.507 . . . . 5.7 110.014 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.02 166.91 30.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 2.17 110.582 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -79.02 -32.52 1.82 Allowed 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 121.748 1.632 . . . . 2.44 112.443 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.37 135.77 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.789 -0.641 . . . . 3.85 110.711 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -68.57 172.15 6.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.817 -0.628 . . . . 3.72 110.059 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.52 -166.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 1.66 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -141.22 158.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.237 0.541 . . . . 1.54 110.06 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.4 mm -128.3 146.53 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.536 -0.756 . . . . 2.16 109.566 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 41.7 m-85 -126.58 148.44 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.375 0.607 . . . . 1.49 111.321 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -125.04 131.9 53.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.165 -0.925 . . . . 3.38 109.612 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 p -99.31 -163.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.81 -0.632 . . . . 2.04 110.045 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -93.18 21.27 6.07 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.499 -0.319 . . . . 3.6 111.311 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.56 18.96 14.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.925 -0.31 . . . . 3.0 111.027 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.42 32.79 22.02 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.982 0.42 . . . . 2.86 110.701 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -123.05 148.28 45.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 3.77 110.583 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.55 146.38 39.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.76 -0.655 . . . . 2.28 110.368 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -132.28 155.81 41.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 2.53 110.422 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.0 m -94.08 140.67 29.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.3 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.97 148.87 32.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 1.47 110.808 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.95 152.78 39.19 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.806 -0.634 . . . . 2.22 110.204 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.02 5.4 6.25 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 121.774 1.649 . . . . 1.21 113.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.29 19.03 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.563 -0.455 . . . . 3.76 111.25 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.7 mmtm -100.67 151.03 22.13 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.124 0.488 . . . . 2.7 110.305 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -72.73 -34.01 66.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.829 -0.623 . . . . 4.13 111.036 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.429 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 67.5 p-90 -84.1 -28.32 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.405 -0.518 . . . . 1.41 110.413 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 57' ' ' TRP . 88.8 t -73.05 -45.09 55.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.26 -0.644 . . . . 1.42 109.26 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.25 -46.8 88.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.717 -0.674 . . . . 2.72 109.782 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -33.4 75.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.447 -0.797 . . . . 1.87 109.254 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -65.19 -54.83 23.63 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.406 -0.816 . . . . 1.21 110.312 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptp -61.36 -38.71 87.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 2.25 110.395 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.5 -37.28 84.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.282 0.563 . . . . 3.17 109.656 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CD2' HD21 ' A' ' 20' ' ' LEU . 37.0 t80 -62.96 -54.75 33.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.319 -0.855 . . . . 1.93 109.628 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.13 -40.71 94.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.76 . . . . 1.83 109.837 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.21 -29.01 68.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.851 . . . . 1.95 110.056 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.082 -0.508 . . . . 3.38 110.44 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.132 0.491 . . . . 2.06 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -124.06 31.91 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 3.02 110.122 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -159.01 82.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.759 -0.655 . . . . 3.69 110.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.98 140.48 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.676 . . . . 1.94 110.479 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.79 150.85 46.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 1.93 110.561 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.9 -48.55 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 3.36 110.384 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 121.33 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 4.77 110.148 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.13 138.15 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 3.52 110.722 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -89.94 139.98 27.59 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 115.527 -0.761 . . . . 1.78 109.892 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -76.39 158.03 36.81 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 121.335 1.357 . . . . 1.73 112.799 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 47.3 mt -80.45 -43.76 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.72 111.192 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.35 -29.49 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 2.62 111.131 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -92.63 -12.44 31.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 4.6 111.449 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.82 146.41 49.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.502 0.667 . . . . 1.66 111.205 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -120.02 -42.1 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.087 -0.961 . . . . 3.03 110.191 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -178.93 158.88 0.98 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.796 -0.638 . . . . 2.25 109.864 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -122.14 158.49 29.2 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.554 -0.458 . . . . 2.53 110.709 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -136.42 109.22 7.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 4.06 110.449 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -87.02 149.69 24.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 3.03 110.546 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.07 153.98 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.68 -0.691 . . . . 2.17 110.205 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 m -164.01 34.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.879 -0.6 . . . . 2.73 110.41 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 137.88 58.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.81 110.583 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.63 -35.03 91.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 2.97 110.76 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -72.4 -29.16 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 5.7 110.65 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.0 148.7 69.55 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.127 -0.488 . . . . 2.17 110.511 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.9 -29.98 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.826 1.684 . . . . 2.44 112.55 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -147.05 144.31 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 3.85 110.39 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.74 143.06 27.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 3.72 110.355 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.57 -177.35 6.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.66 110.386 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.58 158.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.376 0.608 . . . . 1.54 110.594 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.72 130.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.247 -0.888 . . . . 2.16 109.481 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -108.37 147.83 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.413 0.625 . . . . 1.49 111.098 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -126.25 139.31 53.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.255 -0.884 . . . . 3.38 109.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -98.77 -166.34 1.35 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.316 -0.856 . . . . 2.04 109.865 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -98.23 30.17 3.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.965 0.412 . . . . 3.6 110.705 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -125.17 21.57 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.049 -0.523 . . . . 3.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.07 36.94 18.19 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.12 0.486 . . . . 2.86 110.603 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -128.6 151.16 49.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.595 . . . . 3.77 110.45 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -124.69 148.14 48.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.368 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.5 mm -135.76 155.51 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 2.53 110.206 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 m -87.06 153.83 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 1.82 110.317 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.0 152.58 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 1.47 110.573 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.99 157.26 38.32 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.691 -0.686 . . . . 2.22 109.829 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.55 7.39 5.03 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 121.732 1.622 . . . . 1.21 113.6 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -105.02 10.89 33.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.716 -0.394 . . . . 3.76 111.413 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -100.68 150.84 22.33 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.062 0.458 . . . . 2.7 110.291 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 4.13 110.623 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 65.4 p-90 -74.41 -27.51 60.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 1.41 110.568 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 96.8 t -76.05 -39.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.189 -0.671 . . . . 1.42 109.189 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.1 -47.1 81.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.676 -0.693 . . . . 2.72 109.767 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.25 -35.02 78.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 1.87 109.353 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -65.78 -50.33 65.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.39 -0.823 . . . . 1.21 110.083 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.832 -0.622 . . . . 2.25 110.346 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.38 -38.79 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 3.17 109.814 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 75.4 t80 -66.07 -48.84 69.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.341 -0.845 . . . . 1.93 109.755 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.8 mt -66.61 -40.57 88.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.644 -0.707 . . . . 1.83 110.179 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -35.52 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.341 -0.845 . . . . 1.95 110.211 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 3.38 110.59 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.122 0.487 . . . . 2.06 110.639 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -118.98 -43.27 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 3.02 110.351 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -81.7 86.79 6.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 3.69 110.203 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.95 140.95 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.645 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.02 134.61 36.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.783 -0.644 . . . . 1.93 110.608 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -100.59 -31.78 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.685 -0.689 . . . . 3.36 110.218 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -72.13 121.68 19.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.885 -0.598 . . . . 4.77 110.505 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -58.01 136.63 57.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.702 -0.681 . . . . 3.52 110.734 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 18' ' ' ILE . 62.5 mt -104.82 139.86 20.51 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.735 -0.666 . . . . 1.78 109.871 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -78.85 157.1 27.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.434 1.423 . . . . 1.73 113.086 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 35.7 mt -80.78 -43.82 19.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.204 -0.907 . . . . 1.72 111.176 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.66 -29.42 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.799 -0.637 . . . . 2.62 111.138 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -90.33 -12.06 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 4.6 111.507 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.39 142.8 45.0 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.315 0.579 . . . . 1.66 110.913 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.66 -35.49 5.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.372 -0.831 . . . . 3.03 110.24 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -176.72 -171.72 0.4 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.88 -0.6 . . . . 2.25 109.914 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.1 p90 -153.62 152.48 30.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.192 0.52 . . . . 2.53 110.943 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -128.48 119.44 24.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.553 -0.748 . . . . 4.06 110.393 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -107.0 148.27 28.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 3.03 110.38 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.7 mt -124.78 136.06 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.17 110.222 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -159.41 30.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.792 -0.64 . . . . 2.73 110.496 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -74.68 -178.79 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 3.81 110.515 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.72 31.16 8.7 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.799 -0.92 . . . . 2.97 110.799 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -122.16 -44.34 2.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.172 0.511 . . . . 5.7 110.448 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.51 156.34 53.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 2.17 110.271 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.63 -26.79 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.871 1.714 . . . . 2.44 112.51 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.89 156.11 41.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.837 -0.62 . . . . 3.85 110.339 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 147.06 23.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.795 -0.639 . . . . 3.72 110.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.49 -177.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.602 . . . . 1.66 110.431 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -132.19 158.44 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.767 -0.651 . . . . 1.54 110.479 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.66 130.68 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.314 -0.857 . . . . 2.16 109.685 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -109.2 147.93 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.196 0.522 . . . . 1.49 110.817 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 130.75 46.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.756 . . . . 3.38 110.01 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.0 p -89.75 -166.27 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.485 -0.779 . . . . 2.04 109.909 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -97.57 30.67 2.82 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.001 0.429 . . . . 3.6 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mt -126.45 21.39 7.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.07 -0.514 . . . . 3.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 37.66 18.02 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.148 0.499 . . . . 2.86 110.492 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -127.63 141.86 51.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.589 . . . . 3.77 110.463 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.24 145.8 42.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.391 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.04 153.77 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 2.53 110.228 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.58 143.28 26.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.387 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.6 143.17 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 1.47 110.382 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -89.81 150.13 43.31 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.95 -0.568 . . . . 2.22 110.118 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -80.54 4.24 7.04 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 121.633 1.555 . . . . 1.21 113.486 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -110.16 22.19 15.86 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.609 -0.437 . . . . 3.76 111.097 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 7.7 mmtm -100.57 158.61 15.8 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.064 0.459 . . . . 2.7 110.17 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -77.15 -41.19 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.817 -0.629 . . . . 4.13 110.61 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 67.9 p-90 -80.1 -28.61 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 1.41 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 61.1 t -73.04 -42.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.192 -0.669 . . . . 1.42 109.192 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.87 -47.92 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 2.72 109.436 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -34.64 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.354 -0.839 . . . . 1.87 109.244 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -63.65 -52.19 61.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.396 -0.82 . . . . 1.21 110.032 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtm -60.4 -45.3 94.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.774 -0.648 . . . . 2.25 110.394 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.99 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 3.17 109.799 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 33.4 t80 -61.68 -49.06 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.352 -0.84 . . . . 1.93 110.056 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 26' ' ' TYR . 58.5 mt -68.84 -38.89 80.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 1.83 110.453 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.88 -25.05 62.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.281 -0.872 . . . . 1.95 110.929 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 111.944 0.35 . . . . 3.38 111.944 -178.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.281 0.562 . . . . 2.06 110.685 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -127.61 172.74 10.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 3.02 109.562 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 41.72 76.73 0.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.29 0.567 . . . . 3.69 111.403 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.14 139.67 46.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.497 -0.774 . . . . 1.94 111.143 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.93 139.26 58.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.455 -0.793 . . . . 1.93 110.597 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.9 -35.03 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.778 -0.647 . . . . 3.36 110.117 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -74.26 170.61 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.77 110.007 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -100.1 144.61 28.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.242 0.544 . . . . 3.52 110.603 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -107.2 140.01 21.03 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.667 -0.697 . . . . 1.78 109.783 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -77.78 157.59 31.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.355 1.37 . . . . 1.73 113.053 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 26.5 mt -80.53 -40.13 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.34 -0.845 . . . . 1.72 111.128 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.63 -30.68 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.641 . . . . 2.62 111.171 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -90.4 -12.17 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 4.6 111.489 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.59 146.6 44.56 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.461 0.648 . . . . 1.66 111.161 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.26 -41.23 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.148 -0.933 . . . . 3.03 110.074 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -171.96 -174.21 1.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.698 -0.683 . . . . 2.25 109.894 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.426 ' CD1' HD11 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -153.73 153.4 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.242 0.544 . . . . 2.53 110.925 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -136.61 121.13 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.591 -0.731 . . . . 4.06 110.352 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -97.11 149.12 22.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.899 -0.591 . . . . 3.03 110.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -126.53 136.83 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 2.17 110.47 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -164.15 42.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 2.73 110.181 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -72.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.723 -0.671 . . . . 3.81 110.75 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.37 -37.46 1.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.778 -0.929 . . . . 2.97 110.778 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -69.86 -31.64 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.085 0.469 . . . . 5.7 110.411 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.67 167.37 2.57 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.859 -0.61 . . . . 2.17 110.581 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -79.02 -29.73 3.12 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 121.839 1.693 . . . . 2.44 112.74 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -160.11 135.48 8.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 3.85 110.552 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 144.45 30.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.797 -0.638 . . . . 3.72 110.271 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.09 -173.96 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 1.66 110.34 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -119.49 157.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.412 0.625 . . . . 1.54 110.264 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.1 130.13 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.158 -0.928 . . . . 2.16 109.515 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -108.98 149.0 29.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.336 0.589 . . . . 1.49 110.863 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -123.94 130.98 53.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 3.38 109.758 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -97.0 -168.24 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.631 . . . . 2.04 109.993 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.48 29.6 3.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 3.6 110.597 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 20.07 11.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.073 -0.512 . . . . 3.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.37 38.36 19.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.108 0.48 . . . . 2.86 110.608 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -136.14 158.42 44.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 3.77 110.63 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.0 157.83 33.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.674 -0.694 . . . . 2.28 110.374 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.447 HG22 HD11 ' A' ' 49' ' ' ILE . 54.7 mt -141.94 159.51 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 2.53 110.356 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.3 m -96.14 138.5 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.742 -0.663 . . . . 1.82 110.419 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.41 154.24 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.806 -0.633 . . . . 1.47 110.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.1 152.63 44.5 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.818 -0.628 . . . . 2.22 109.676 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -78.28 3.51 7.06 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 121.525 1.483 . . . . 1.21 113.667 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -98.75 9.41 43.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.649 -0.42 . . . . 3.76 111.307 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.34 158.17 16.08 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.093 0.473 . . . . 2.7 110.399 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -75.89 -47.02 27.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.804 -0.634 . . . . 4.13 110.726 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 66.5 p-90 -69.2 -27.15 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 1.41 110.478 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 62.9 t -76.95 -37.2 26.54 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 N-CA-C 109.097 -0.705 . . . . 1.42 109.097 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.06 -47.56 76.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 2.72 109.579 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.382 -0.826 . . . . 1.87 109.327 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.32 -50.05 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.421 -0.809 . . . . 1.21 109.966 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.407 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.7 ttp -64.52 -44.59 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 2.25 109.912 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -35.39 80.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 3.17 109.561 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 24.1 t80 -61.2 -55.36 33.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.332 -0.849 . . . . 1.93 109.809 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 26' ' ' TYR . 81.5 mt -66.31 -42.18 88.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.779 -0.646 . . . . 1.83 109.673 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.01 -23.56 65.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 1.95 110.193 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 CA--C 1.534 0.341 0 CA-C-N 116.153 -0.476 . . . . 3.38 112.171 -179.658 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 121.055 0.455 . . . . 2.06 110.373 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 60.34 31.11 20.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.847 -0.615 . . . . 3.02 110.658 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -178.14 83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 3.69 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.36 161.1 20.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.849 -0.614 . . . . 1.94 110.351 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.21 142.35 31.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.853 -0.612 . . . . 1.93 110.564 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.96 -35.38 9.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 3.36 110.277 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -78.31 113.42 16.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.663 -0.698 . . . . 4.77 110.078 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 4.6 ptmt -59.77 137.48 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 3.52 110.739 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.0 mt -89.74 139.86 27.87 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.515 -0.766 . . . . 1.78 109.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -76.36 158.24 36.9 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.417 1.411 . . . . 1.73 112.958 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 29.8 mt -80.35 -43.27 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.337 -0.847 . . . . 1.72 111.178 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -28.86 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.62 111.105 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -94.94 -9.15 34.96 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.04 -0.527 . . . . 4.6 111.589 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.91 146.81 37.36 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.339 0.59 . . . . 1.66 111.134 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.54 -40.73 2.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.245 -0.889 . . . . 3.03 110.285 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -178.7 160.52 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.843 -0.617 . . . . 2.25 110.063 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.2 p90 -124.34 159.68 29.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.142 0.496 . . . . 2.53 110.629 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -135.06 103.31 5.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 4.06 110.538 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -81.4 144.96 31.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.636 . . . . 3.03 110.258 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -118.84 138.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.633 -0.712 . . . . 2.17 110.511 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -163.77 31.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 2.73 110.398 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -84.5 -172.53 4.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 3.81 110.574 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.84 32.71 7.2 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.8 -0.92 . . . . 2.97 110.8 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.16 -32.81 7.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.452 . . . . 5.7 110.404 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.0 m -100.66 157.12 34.31 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.901 -0.591 . . . . 2.17 110.434 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.59 -33.12 0.72 Allowed 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 121.794 1.663 . . . . 2.44 112.635 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -127.5 139.61 52.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.789 -0.642 . . . . 3.85 110.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -72.54 153.88 41.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 3.72 110.351 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.03 -178.29 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.89 -0.595 . . . . 1.66 110.573 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -135.39 159.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.623 -0.717 . . . . 1.54 110.153 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.3 mt -135.48 132.15 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.716 . . . . 2.16 109.929 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 56.9 m-85 -111.11 147.59 34.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.308 0.575 . . . . 1.49 111.048 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -125.97 137.43 53.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.308 -0.86 . . . . 3.38 109.712 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.6 p -99.98 -166.65 1.36 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.375 -0.83 . . . . 2.04 109.98 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -97.92 30.36 3.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 3.6 110.662 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -125.03 20.67 8.24 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 3.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 43.85 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.297 0.57 . . . . 2.86 110.594 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -135.39 154.4 51.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 3.77 110.593 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.29 144.0 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.653 -0.703 . . . . 2.28 110.305 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.75 148.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 2.53 110.416 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.21 151.66 24.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 1.82 110.223 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.99 147.13 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 1.47 110.623 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -91.17 144.13 29.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.726 -0.67 . . . . 2.22 109.884 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -79.46 1.13 9.45 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 121.545 1.497 . . . . 1.21 113.537 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -110.36 22.35 15.61 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.592 -0.443 . . . . 3.76 110.98 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 179.38 4.45 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.087 0.47 . . . . 2.7 110.487 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -90.09 -57.79 2.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.77 -0.65 . . . . 4.13 110.91 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 67.8 p-90 -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 1.41 110.036 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 54.8 t -70.84 -38.87 74.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 108.853 -0.795 . . . . 1.42 108.853 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.32 -47.09 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.453 -0.794 . . . . 2.72 109.214 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.82 -35.74 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.358 -0.837 . . . . 1.87 109.164 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -64.35 -53.84 42.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.356 -0.838 . . . . 1.21 109.926 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.425 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 33.8 ttm -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.739 -0.664 . . . . 2.25 110.225 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -65.93 -37.02 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.315 0.579 . . . . 3.17 109.878 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 34.4 t80 -63.42 -50.91 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.349 -0.841 . . . . 1.93 109.855 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.85 -39.88 76.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.421 0.629 . . . . 1.83 109.796 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.76 -31.23 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.14 -0.937 . . . . 1.95 110.258 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 . . . . . 0 N--CA 1.461 0.123 0 CA-C-N 116.038 -0.528 . . . . 3.38 110.611 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.132 0.492 . . . . 2.06 110.399 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.08 -31.73 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 3.02 110.438 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.56 86.32 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 3.69 110.399 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.21 140.27 58.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 1.94 110.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 135.71 51.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.775 -0.648 . . . . 1.93 110.431 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -102.48 -34.11 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.747 -0.66 . . . . 3.36 110.309 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -77.08 128.25 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.826 -0.625 . . . . 4.77 110.288 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 40.2 mtmt -61.44 126.0 25.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 3.52 110.504 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.6 mt -89.9 139.66 27.6 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.707 -0.679 . . . . 1.78 110.035 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.08 157.39 26.7 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.535 1.49 . . . . 1.73 112.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.0 mt -80.74 -42.52 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.362 -0.835 . . . . 1.72 110.999 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -57.95 -30.05 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 2.62 110.996 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -90.03 -12.76 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 4.6 111.309 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.6 145.65 50.58 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.358 0.599 . . . . 1.66 110.842 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -120.65 -41.42 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.243 -0.889 . . . . 3.03 110.252 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 t -169.21 174.16 6.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 2.25 109.942 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 2.7 p90 -146.04 156.71 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.102 0.477 . . . . 2.53 110.754 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -133.05 122.8 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.677 -0.692 . . . . 4.06 110.542 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -100.78 146.37 27.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 3.03 110.326 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.42 HD11 HG22 ' A' ' 29' ' ' ILE . 53.8 mt -132.97 135.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 2.17 110.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -163.99 31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.73 110.451 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -171.22 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 3.81 110.498 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 35.68 4.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.722 -0.951 . . . . 2.97 110.722 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -115.08 -56.22 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.185 0.517 . . . . 5.7 110.44 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.6 150.74 96.76 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 2.17 110.323 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.5 -28.28 1.87 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.847 1.698 . . . . 2.44 112.566 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -132.44 107.56 8.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.69 -0.686 . . . . 3.85 110.387 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -61.4 141.42 57.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.854 -0.612 . . . . 3.72 110.468 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.53 -177.55 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.859 -0.609 . . . . 1.66 110.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.0 158.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.691 -0.686 . . . . 1.54 110.314 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -127.38 130.37 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.238 -0.892 . . . . 2.16 109.344 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -107.58 148.16 29.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.304 0.573 . . . . 1.49 111.019 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -124.96 130.24 51.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.35 -0.841 . . . . 3.38 109.558 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.6 p -94.11 -167.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 2.04 110.017 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -98.37 30.12 3.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.236 -0.438 . . . . 3.6 110.679 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -123.54 20.75 9.48 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.062 -0.517 . . . . 3.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.43 39.31 18.61 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.222 0.534 . . . . 2.86 110.572 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -138.01 144.4 41.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 3.77 110.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -111.79 156.14 22.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.783 -0.644 . . . . 2.28 110.414 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -140.63 159.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.872 -0.604 . . . . 2.53 110.303 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.6 m -92.45 146.64 23.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 1.82 110.479 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.92 133.29 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 1.47 110.552 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -92.6 157.59 39.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.206 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 11.69 3.05 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 121.839 1.693 . . . . 1.21 113.964 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -106.1 12.68 30.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.58 -0.448 . . . . 3.76 111.502 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.65 156.02 17.55 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.02 0.438 . . . . 2.7 110.37 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -34.39 58.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 4.13 111.053 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CE2' HG21 ' A' ' 58' ' ' VAL . 70.7 p-90 -84.92 -26.42 27.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.449 -0.501 . . . . 1.41 110.421 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CE2' ' A' ' 57' ' ' TRP . 67.9 t -73.11 -45.47 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 N-CA-C 109.098 -0.704 . . . . 1.42 109.098 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -48.31 82.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.682 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -32.56 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.442 -0.799 . . . . 1.87 109.267 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -65.57 -53.95 34.79 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.478 -0.783 . . . . 1.21 110.449 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.8 ptm -62.3 -37.88 87.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.125 -0.488 . . . . 2.25 110.672 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -72.46 -35.75 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.391 0.615 . . . . 3.17 109.841 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 57.7 t80 -66.22 -47.45 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.297 -0.865 . . . . 1.93 109.735 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.44 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 65.2 mt -64.92 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.537 0.684 . . . . 1.83 109.995 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -46.84 88.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.913 -1.039 . . . . 1.95 110.938 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 120.65 -0.42 . . . . 3.38 111.166 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.026 0.441 . . . . 2.06 110.33 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 59.94 177.96 0.09 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.901 -0.59 . . . . 3.02 110.305 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.55 61.22 1.9 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.516 0.674 . . . . 3.69 111.749 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.34 140.32 56.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.467 -0.788 . . . . 1.94 110.768 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' CH2' ' A' ' 57' ' ' TRP . . . -62.95 139.42 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.582 -0.736 . . . . 1.93 110.604 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -103.12 -33.45 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.731 -0.668 . . . . 3.36 110.282 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.64 152.85 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 4.77 110.276 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 30.8 mttp -81.72 127.59 33.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.815 -0.63 . . . . 3.52 110.447 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.87 139.65 27.64 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.642 -0.708 . . . . 1.78 109.919 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.8 157.47 31.42 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 121.41 1.406 . . . . 1.73 113.036 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 27.1 mt -80.63 -37.51 30.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.332 -0.849 . . . . 1.72 110.927 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -59.25 -31.53 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 2.62 110.863 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -88.97 -13.25 39.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 4.6 111.298 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.84 144.45 45.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.363 0.601 . . . . 1.66 111.039 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -120.28 -41.74 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.116 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -168.35 -176.15 2.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.818 -0.628 . . . . 2.25 109.781 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.412 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.3 p90 -154.52 164.62 38.41 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 2.53 110.853 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -148.25 122.3 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 4.06 110.469 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -92.63 143.57 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 3.03 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 29' ' ' ILE . 53.3 mt -116.06 136.1 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.4 -0.818 . . . . 2.17 110.248 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -149.46 31.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.805 -0.634 . . . . 2.73 110.447 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 132.63 46.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 3.81 110.467 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.2 -27.69 65.58 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.022 -0.831 . . . . 2.97 111.022 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -69.76 -32.49 71.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.026 0.441 . . . . 5.7 110.643 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.21 150.03 97.39 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.961 -0.563 . . . . 2.17 110.352 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.84 -28.01 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.864 1.709 . . . . 2.44 112.596 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -133.73 129.1 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 3.85 110.668 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 106.46 17.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.859 -0.609 . . . . 3.72 109.787 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.56 -176.76 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.322 0.582 . . . . 1.66 111.043 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.43 159.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.303 -0.862 . . . . 1.54 109.86 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.9 mt -126.7 130.33 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.441 -0.799 . . . . 2.16 109.368 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 38.9 m-85 -106.56 147.2 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.328 0.585 . . . . 1.49 111.055 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -115.94 129.05 56.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.127 -0.942 . . . . 3.38 109.212 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.3 p -98.54 -166.35 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.175 -0.466 . . . . 2.04 110.084 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -96.03 28.29 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.887 0.375 . . . . 3.6 111.016 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.72 18.54 7.99 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.291 -0.413 . . . . 3.0 111.058 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.69 35.37 22.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.147 0.499 . . . . 2.86 110.655 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -126.28 147.64 49.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 3.77 110.671 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.44 139.52 48.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.759 -0.655 . . . . 2.28 110.278 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -126.42 159.46 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 2.53 110.238 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -92.73 143.89 25.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.268 -0.878 . . . . 1.82 110.114 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.24 137.55 19.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 1.47 110.7 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -89.89 149.15 41.3 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.861 -0.609 . . . . 2.22 110.096 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.96 9.63 3.86 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 121.807 1.671 . . . . 1.21 113.897 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.18 17.52 20.89 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.554 -0.458 . . . . 3.76 111.369 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.8 174.2 6.15 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.121 0.486 . . . . 2.7 110.462 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -88.78 -47.13 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 4.13 110.592 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CH2' HG21 ' A' ' 58' ' ' VAL . 65.5 p-90 -72.06 -31.01 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 1.41 110.056 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.422 HG21 ' CH2' ' A' ' 57' ' ' TRP . 60.0 t -71.12 -40.91 75.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.307 -0.627 . . . . 1.42 109.307 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 2.72 109.528 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.81 -33.76 68.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.474 -0.785 . . . . 1.87 109.129 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.42 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -68.01 -53.03 28.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.417 -0.811 . . . . 1.21 110.446 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -34.9 79.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 2.25 110.199 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.61 66.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.374 0.607 . . . . 3.17 109.478 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 42.3 t80 -63.27 -49.97 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.169 -0.923 . . . . 1.93 109.906 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.412 HD11 ' CD1' ' A' ' 26' ' ' TYR . 44.9 mt -65.5 -42.94 91.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.873 -0.603 . . . . 1.83 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.1 -32.17 72.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.404 -0.817 . . . . 1.95 110.456 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.94 -0.573 . . . . 3.38 110.727 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.141 0.496 . . . . 2.06 110.087 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -81.85 -34.7 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 3.02 110.357 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.09 82.79 8.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 3.69 110.465 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.74 140.39 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 1.94 110.313 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 140.2 58.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 1.93 110.514 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -101.79 -38.12 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.888 -0.596 . . . . 3.36 110.194 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.75 132.33 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.682 -0.69 . . . . 4.77 109.894 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 23.5 mttt -61.81 135.05 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.606 . . . . 3.52 110.557 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.5 mt -89.74 139.73 27.85 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.589 -0.732 . . . . 1.78 109.86 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -76.26 156.12 37.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.307 1.338 . . . . 1.73 112.854 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 53.1 mt -80.67 -44.32 18.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.149 -0.932 . . . . 1.72 111.282 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.31 -28.97 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 2.62 111.18 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -90.11 -12.91 36.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 4.6 111.521 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.94 147.8 40.59 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.354 0.597 . . . . 1.66 111.1 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -120.95 -41.35 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.175 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.7 t -179.43 159.43 0.91 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.808 -0.633 . . . . 2.25 109.949 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.4 p90 -120.7 164.45 16.53 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.11 0.481 . . . . 2.53 110.778 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -148.75 108.68 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 4.06 110.366 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -79.79 148.81 31.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.872 -0.604 . . . . 3.03 110.457 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 HG22 ' A' ' 29' ' ' ILE . 56.1 mt -119.85 139.7 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 2.17 110.163 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.81 32.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.846 -0.615 . . . . 2.73 110.46 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -63.73 -172.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 3.81 110.359 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.16 31.64 7.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.811 -0.916 . . . . 2.97 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -120.45 -43.28 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.108 0.48 . . . . 5.7 110.55 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.07 150.77 96.18 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.74 -0.664 . . . . 2.17 110.377 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.36 -27.9 2.09 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.855 1.703 . . . . 2.44 112.581 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -135.33 146.83 48.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.791 -0.641 . . . . 3.85 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -83.54 153.15 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.786 -0.643 . . . . 3.72 110.455 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.02 -177.73 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 1.66 110.427 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.6 t -123.56 157.25 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.501 0.667 . . . . 1.54 110.382 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 40' ' ' ILE . 18.9 mm -127.96 131.08 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.093 -0.958 . . . . 2.16 109.281 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 26' ' ' TYR . 31.0 m-85 -110.44 147.62 33.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.375 0.607 . . . . 1.49 110.96 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -123.53 132.01 53.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.285 -0.871 . . . . 3.38 109.902 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -90.15 -167.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.632 -0.713 . . . . 2.04 109.969 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 29.94 2.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.014 0.435 . . . . 3.6 110.641 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.99 20.46 6.43 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.094 -0.503 . . . . 3.0 110.854 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 50.02 5.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.317 0.579 . . . . 2.86 110.533 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -137.66 150.63 47.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 3.77 110.529 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.49 140.67 49.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.72 -0.673 . . . . 2.28 110.306 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.6 mm -126.41 159.61 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 2.53 110.359 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -91.64 143.7 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 1.82 110.051 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.72 36.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.244 0.545 . . . . 1.47 110.695 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.57 151.92 42.5 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.582 -0.736 . . . . 2.22 109.972 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.18 6.83 5.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 121.792 1.661 . . . . 1.21 113.547 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -110.35 16.28 21.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.667 -0.413 . . . . 3.76 111.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -100.66 157.26 16.81 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.108 0.48 . . . . 2.7 110.465 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -77.86 -35.4 51.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.834 -0.621 . . . . 4.13 110.655 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.432 ' CE2' HG21 ' A' ' 58' ' ' VAL . 68.2 p-90 -79.61 -27.1 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 1.41 110.475 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 57' ' ' TRP . 89.2 t -73.65 -42.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.054 -0.721 . . . . 1.42 109.054 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -62.82 -48.15 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.579 -0.737 . . . . 2.72 109.556 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -65.26 -33.72 76.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 1.87 109.342 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -65.31 -53.7 40.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.513 -0.767 . . . . 1.21 109.963 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.419 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.8 ttt -60.5 -42.43 96.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.914 -0.585 . . . . 2.25 110.414 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.99 -40.25 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.323 0.582 . . . . 3.17 109.687 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 67.7 t80 -61.47 -49.14 77.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.224 -0.898 . . . . 1.93 110.079 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.17 -40.37 95.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 1.83 110.292 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -44.82 95.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.842 . . . . 1.95 110.097 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.482 -0.781 . . . . 3.38 112.201 179.675 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.022 0.439 . . . . 2.06 111.185 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 62.37 32.38 16.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.279 0.562 . . . . 3.02 110.032 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -168.71 79.04 0.13 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.446 -0.797 . . . . 3.69 109.639 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.75 157.57 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.499 -0.773 . . . . 1.94 110.847 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.46 172.86 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.648 -0.706 . . . . 1.93 110.741 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.68 -46.39 1.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.647 -0.706 . . . . 3.36 110.352 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -73.87 128.56 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 4.77 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -61.48 136.51 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 3.52 110.747 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -90.0 139.76 27.46 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.563 -0.744 . . . . 1.78 109.742 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -77.03 155.47 33.74 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.357 1.371 . . . . 1.73 112.914 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 32.6 mt -80.8 -43.18 20.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.163 -0.926 . . . . 1.72 111.172 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.73 -29.67 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 2.62 111.039 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -94.43 -10.41 32.52 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.046 -0.524 . . . . 4.6 111.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.62 140.33 44.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.286 0.565 . . . . 1.66 110.934 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -111.49 -38.35 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.463 -0.789 . . . . 3.03 110.126 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -179.98 173.12 0.99 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.634 -0.712 . . . . 2.25 109.94 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 12.1 p90 -135.82 160.69 37.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.141 0.496 . . . . 2.53 110.732 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -139.95 128.71 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 4.06 110.495 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -104.35 143.5 32.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.811 -0.632 . . . . 3.03 110.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -113.76 134.43 56.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.507 -0.77 . . . . 2.17 110.268 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.17 30.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 2.73 110.484 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -73.98 -172.92 1.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 3.81 110.551 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 -24.36 37.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.216 -0.753 . . . . 2.97 111.216 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -69.5 -32.19 70.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.03 0.443 . . . . 5.7 110.64 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.52 142.86 58.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.006 -0.543 . . . . 2.17 110.425 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.62 -30.09 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.688 1.592 . . . . 2.44 112.26 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -131.08 -177.15 4.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 3.85 110.378 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -104.64 159.28 15.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.899 -0.591 . . . . 3.72 110.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 1.66 110.648 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.9 t -142.41 159.38 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.614 -0.721 . . . . 1.54 110.251 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.9 mt -136.3 130.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 2.16 109.715 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 50.4 m-85 -108.6 147.98 31.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.452 0.644 . . . . 1.49 111.278 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.23 131.09 55.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.228 -0.896 . . . . 3.38 109.433 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 p -101.66 -167.65 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 2.04 110.261 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 30.12 3.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 3.6 110.747 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.76 20.3 9.34 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.055 -0.52 . . . . 3.0 110.994 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.79 20.69 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.953 0.406 . . . . 2.86 110.727 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -131.2 150.23 52.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.059 -0.519 . . . . 3.77 110.538 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -116.55 152.15 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.682 -0.69 . . . . 2.28 110.245 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.9 mt -134.86 159.58 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.606 . . . . 2.53 110.236 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.05 144.68 28.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.481 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.417 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -153.21 146.92 25.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 1.47 110.647 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -95.5 154.99 39.16 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.829 -0.623 . . . . 2.22 110.257 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.36 6.61 5.49 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 121.709 1.606 . . . . 1.21 113.567 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.89 18.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.633 -0.427 . . . . 3.76 111.274 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.38 169.98 8.73 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.065 0.46 . . . . 2.7 110.398 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -84.97 -47.56 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 4.13 110.744 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.8 p-90 -74.36 -27.51 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.41 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG22 ' CE2' ' A' ' 57' ' ' TRP . 59.6 t -74.53 -40.73 48.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.179 -0.675 . . . . 1.42 109.179 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.51 -48.04 79.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 2.72 109.569 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -35.18 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.437 -0.801 . . . . 1.87 109.271 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.98 -52.5 59.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.413 -0.812 . . . . 1.21 109.979 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 29.5 mtp -61.44 -44.44 97.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 2.25 110.366 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -64.91 -37.38 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.337 0.589 . . . . 3.17 109.556 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 55.9 t80 -63.8 -53.71 46.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.277 -0.874 . . . . 1.93 109.546 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 1.83 110.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.63 -37.34 86.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 1.95 109.991 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 . . . . . 0 CA--C 1.533 0.291 0 CA-C-N 115.631 -0.713 . . . . 3.38 111.535 179.789 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 121.134 0.492 . . . . 2.06 110.407 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -109.32 -32.59 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.735 -0.666 . . . . 3.02 110.466 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.48 86.67 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 3.69 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.04 140.62 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 1.94 110.391 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 142.71 56.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.93 110.48 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -103.83 -36.25 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 3.36 110.318 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.98 147.11 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 4.77 110.248 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.5 mttt -77.02 129.18 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 3.52 110.54 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.88 139.92 27.66 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.66 -0.7 . . . . 1.78 109.91 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -77.5 156.35 32.27 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.38 1.387 . . . . 1.73 112.918 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 64' ' ' TYR . 47.9 mt -80.71 -41.19 24.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.162 -0.926 . . . . 1.72 111.202 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 2.62 111.107 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -91.29 -11.72 37.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 4.6 111.591 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.17 146.95 40.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.469 0.652 . . . . 1.66 111.049 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -119.03 -40.82 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.252 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -179.89 160.54 0.9 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.763 -0.653 . . . . 2.25 109.915 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 62' ' ' MET . 12.4 p90 -124.58 157.55 35.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.146 0.498 . . . . 2.53 110.814 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -134.15 100.52 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 4.06 110.328 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -64.97 147.09 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.835 -0.621 . . . . 3.03 110.486 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 mt -104.63 -159.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.875 -0.787 . . . . 2.17 108.875 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.93 31.23 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.092 0.473 . . . . 2.73 110.083 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t -69.53 -32.99 72.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.771 -0.649 . . . . 3.81 110.354 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.3 -31.02 1.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 2.97 110.879 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.87 48.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 5.7 110.52 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.75 151.08 82.26 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.952 -0.567 . . . . 2.17 110.475 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.69 -38.73 0.16 Allowed 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 121.905 1.736 . . . . 2.44 112.672 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -107.33 171.93 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.717 -0.674 . . . . 3.85 110.54 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -110.03 144.09 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 3.72 110.435 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.11 -177.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.958 -0.565 . . . . 1.66 110.547 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.14 158.97 41.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.806 -0.634 . . . . 1.54 110.135 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -127.48 137.56 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.539 -0.755 . . . . 2.16 109.627 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 35.8 m-85 -117.17 148.4 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.403 0.62 . . . . 1.49 111.27 -179.251 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -122.37 139.4 53.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.112 -0.949 . . . . 3.38 109.558 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.5 p -108.52 -172.85 2.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.485 -0.779 . . . . 2.04 110.357 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -81.33 -1.63 46.07 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.008 -0.542 . . . . 3.6 111.695 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.86 19.82 9.67 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.704 -0.398 . . . . 3.0 111.234 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.26 30.76 19.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.99 0.424 . . . . 2.86 110.869 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.35 160.7 23.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 3.77 110.311 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -124.87 154.72 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.66 -0.7 . . . . 2.28 110.517 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.407 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 4.3 mp -141.19 159.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.441 0.639 . . . . 2.53 110.119 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -94.56 140.04 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.248 -0.887 . . . . 1.82 110.451 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.97 145.54 32.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 1.47 110.759 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.76 152.41 40.68 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.725 -0.671 . . . . 2.22 110.187 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 6.92 5.37 Favored 'Trans proline' 0 N--CA 1.476 0.452 0 C-N-CA 121.754 1.636 . . . . 1.21 113.61 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -110.23 16.81 21.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.602 -0.439 . . . . 3.76 111.413 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -100.63 161.25 13.72 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.112 0.482 . . . . 2.7 110.457 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -79.09 -43.95 23.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 4.13 110.75 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 67.2 p-90 -73.72 -28.23 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 1.41 110.396 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 57' ' ' TRP . 73.0 t -73.79 -40.55 53.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.162 -0.681 . . . . 1.42 109.162 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.2 -47.6 79.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.604 -0.725 . . . . 2.72 109.563 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -66.77 -34.47 77.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 1.87 109.272 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.5 m -64.72 -52.5 56.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.406 -0.816 . . . . 1.21 109.915 179.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 2.6 ttm -61.86 -44.52 96.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.767 -0.651 . . . . 2.25 110.44 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -65.64 -36.54 83.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.373 0.606 . . . . 3.17 109.708 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CD2' HD21 ' A' ' 20' ' ' LEU . 47.0 t80 -63.59 -52.5 60.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.275 -0.875 . . . . 1.93 109.792 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.26 -40.91 90.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.735 -0.666 . . . . 1.83 110.129 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.55 -32.82 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.297 -0.865 . . . . 1.95 110.24 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 3.38 110.451 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.198 0.523 . . . . 2.06 110.56 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.01 -47.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.582 -0.735 . . . . 3.02 110.299 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.45 70.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 3.69 110.079 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.15 140.77 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.745 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.66 58.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.93 110.333 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -92.98 -45.05 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 3.36 110.27 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.04 166.06 16.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.605 -0.725 . . . . 4.77 110.094 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -97.38 137.4 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 3.52 110.51 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -89.72 139.84 27.91 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.685 -0.689 . . . . 1.78 109.823 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -77.25 155.49 32.91 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 121.426 1.418 . . . . 1.73 113.122 -179.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.5 mt -80.73 -43.62 19.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.041 -0.981 . . . . 1.72 111.113 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -57.55 -29.8 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 2.62 111.145 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -95.14 -9.64 32.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 4.6 111.586 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.0 147.7 44.9 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.515 0.674 . . . . 1.66 111.108 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.33 -41.37 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.104 -0.953 . . . . 3.03 110.196 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -179.29 161.59 1.11 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.852 -0.613 . . . . 2.25 109.818 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -127.2 156.57 41.63 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.186 0.517 . . . . 2.53 110.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.13 115.61 14.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 4.06 110.378 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -101.51 149.6 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 3.03 110.461 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.32 142.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 2.17 110.239 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t -158.83 29.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 2.73 110.597 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -86.67 -171.49 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 3.81 110.4 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.53 33.55 6.12 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.735 -0.946 . . . . 2.97 110.735 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -112.11 -37.35 5.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.107 0.48 . . . . 5.7 110.492 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.4 m -91.6 153.87 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 2.17 110.5 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.75 -27.46 2.59 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 121.89 1.727 . . . . 2.44 112.553 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -136.63 139.42 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.633 . . . . 3.85 110.441 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -74.76 118.15 17.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 3.72 110.396 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.23 -178.4 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 1.66 110.533 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.91 158.97 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.246 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.4 mt -134.53 130.5 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.465 -0.789 . . . . 2.16 109.562 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 41.7 m-85 -109.72 148.18 31.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 1.49 110.988 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -126.33 140.61 52.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.368 -0.833 . . . . 3.38 109.91 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -100.93 -170.13 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.416 -0.811 . . . . 2.04 110.132 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -3.76 57.65 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.132 -0.485 . . . . 3.6 111.426 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.23 20.97 8.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.732 -0.387 . . . . 3.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.56 32.02 21.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.046 0.451 . . . . 2.86 110.933 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -115.1 146.05 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 3.77 110.324 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.9 145.69 43.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.976 -0.556 . . . . 2.28 110.491 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -135.65 156.4 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.61 -0.723 . . . . 2.53 110.058 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.5 m -90.26 151.37 21.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.881 -0.6 . . . . 1.82 110.38 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -155.77 148.91 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.817 -0.629 . . . . 1.47 110.778 -179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -96.29 147.23 32.64 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.637 -0.71 . . . . 2.22 109.86 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -81.12 6.81 5.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.628 1.552 . . . . 1.21 113.613 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -110.23 18.95 19.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.809 -0.357 . . . . 3.76 111.023 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -100.67 170.0 8.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.08 0.467 . . . . 2.7 110.381 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.23 -44.43 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 4.13 110.522 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 65.2 p-90 -73.4 -30.09 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 1.41 110.278 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 58.8 t -72.66 -40.18 61.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.42 109.324 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.3 -40.9 86.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 2.72 109.621 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -33.51 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 1.87 109.182 178.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.9 m -68.2 -52.44 34.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.368 -0.833 . . . . 1.21 110.524 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -34.66 78.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 2.25 110.291 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -71.76 -36.97 70.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.401 0.62 . . . . 3.17 109.566 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 51.1 t80 -64.98 -51.9 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.247 -0.888 . . . . 1.93 109.595 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.44 -40.65 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.657 -0.702 . . . . 1.83 110.122 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.45 -34.28 73.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 1.95 109.915 179.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 CA--C 1.532 0.28 0 CA-C-N 115.491 -0.777 . . . . 3.38 111.485 179.708 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.212 0.529 . . . . 2.06 110.694 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -138.24 -47.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 3.02 110.286 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -80.04 78.3 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.719 -0.673 . . . . 3.69 110.286 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.74 143.35 54.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.662 -0.699 . . . . 1.94 110.577 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 139.31 57.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.636 . . . . 1.93 110.685 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.6 -33.71 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 3.36 110.241 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -81.18 129.42 34.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.761 -0.654 . . . . 4.77 110.294 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -60.51 135.44 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 3.52 110.713 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 66.0 mt -90.0 140.24 27.54 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.752 -0.658 . . . . 1.78 109.901 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -78.33 156.65 29.26 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.464 1.442 . . . . 1.73 113.06 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.6 mt -80.86 -43.36 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.287 -0.87 . . . . 1.72 111.201 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -57.16 -29.91 64.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 2.62 111.143 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -93.56 -9.37 38.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 4.6 111.606 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.69 148.48 40.52 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.494 0.664 . . . . 1.66 111.3 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -122.69 -41.78 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.094 -0.957 . . . . 3.03 110.226 179.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -179.66 150.72 0.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.857 -0.611 . . . . 2.25 109.991 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 8.6 p90 -115.97 172.1 7.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.11 0.481 . . . . 2.53 110.655 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -154.77 142.82 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 4.06 110.485 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.89 141.67 47.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 3.03 110.403 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt -120.86 144.36 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.48 -0.782 . . . . 2.17 110.302 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -169.55 34.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 2.73 110.345 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -172.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 3.81 110.523 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -29.49 8.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.995 -0.842 . . . . 2.97 110.995 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.85 71.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.47 . . . . 5.7 110.415 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.9 151.77 95.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.787 -0.642 . . . . 2.17 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.43 -36.96 0.24 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.926 1.751 . . . . 2.44 112.538 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -134.12 175.11 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.608 -0.724 . . . . 3.85 110.246 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -119.77 152.66 36.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 3.72 110.579 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.78 -174.47 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.786 -0.643 . . . . 1.66 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.83 158.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.366 0.603 . . . . 1.54 110.301 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.76 129.83 48.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.285 -0.871 . . . . 2.16 109.637 179.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 57.3 m-85 -106.74 146.78 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 1.49 110.981 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -122.01 129.09 52.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 3.38 109.869 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -89.8 -173.41 3.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 2.04 110.029 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -97.24 30.92 2.62 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.322 -0.399 . . . . 3.6 110.759 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.56 23.06 6.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 3.0 110.685 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 42.13 11.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.229 0.537 . . . . 2.86 110.338 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -135.57 151.31 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 3.77 110.543 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -126.18 153.16 45.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.801 -0.636 . . . . 2.28 110.132 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 49' ' ' ILE . 55.7 mt -139.36 159.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 2.53 110.349 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.1 m -93.87 148.35 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 1.82 110.142 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -153.4 153.37 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.233 0.539 . . . . 1.47 111.023 -179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -99.2 145.72 30.49 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.504 -0.771 . . . . 2.22 109.805 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -79.76 3.41 7.58 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 121.539 1.493 . . . . 1.21 113.521 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -110.38 23.07 14.74 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.632 -0.427 . . . . 3.76 111.049 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -100.5 170.12 8.61 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.103 0.478 . . . . 2.7 110.35 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -29.77 20.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.947 -0.569 . . . . 4.13 110.692 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.2 p-90 -88.17 -28.9 20.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 120.508 -0.477 . . . . 1.41 110.094 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 58.0 t -72.32 -45.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.041 -0.527 . . . . 1.42 109.61 179.153 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 2.72 109.701 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -34.09 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.616 -0.72 . . . . 1.87 109.064 178.428 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -66.99 -55.34 14.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.39 -0.823 . . . . 1.21 110.398 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -33.31 74.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.097 -0.501 . . . . 2.25 110.176 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -69.35 -39.39 78.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.424 0.63 . . . . 3.17 109.582 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 39.6 t80 -63.46 -53.83 45.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.126 -0.943 . . . . 1.93 109.537 179.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.61 -40.33 96.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.787 . . . . 1.83 110.151 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.43 -35.37 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.34 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.815 -0.63 . . . . 3.38 110.515 -179.879 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.238 0.542 . . . . 2.06 110.735 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 35' ' ' PRO . 47.1 m-85 -129.76 -46.77 1.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.672 -0.695 . . . . 3.02 110.364 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -73.89 90.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 3.69 110.55 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 mt -82.44 143.06 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.406 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.11 155.3 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.867 -0.606 . . . . 1.93 110.632 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.05 -40.73 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.746 -0.661 . . . . 3.36 110.269 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -64.24 165.2 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.649 -0.705 . . . . 4.77 110.4 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.6 mtmt -100.09 123.68 44.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 3.52 110.314 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -89.95 140.11 27.6 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.766 -0.652 . . . . 1.78 110.03 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.99 159.47 24.04 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.611 1.541 . . . . 1.73 112.88 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 64' ' ' TYR . 43.3 mt -80.8 -43.49 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.389 -0.823 . . . . 1.72 111.106 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.47 -30.06 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 2.62 111.148 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -90.35 -13.36 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 4.6 111.366 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.58 142.13 53.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.283 0.563 . . . . 1.66 111.062 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.36 -0.836 . . . . 3.03 109.893 179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 p -169.79 -178.79 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.658 . . . . 2.25 109.77 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 1.2 p90 -152.74 146.31 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 2.53 110.928 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -123.31 118.58 27.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.358 -0.837 . . . . 4.06 110.263 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -86.64 148.67 25.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 3.03 110.847 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mm -93.31 -153.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.564 -0.902 . . . . 2.17 108.564 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 m 78.52 43.69 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.605 0.717 . . . . 2.73 109.666 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -59.77 -160.16 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.993 -1.003 . . . . 3.81 110.413 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.88 -33.67 3.65 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.517 -0.311 . . . . 2.97 112.495 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.58 67.27 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.131 -0.628 . . . . 5.7 111.6 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.58 157.31 82.44 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.439 -0.578 . . . . 2.17 109.439 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 40.4 Cg_endo -81.61 -32.2 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 121.691 1.594 . . . . 2.44 112.559 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -140.2 120.33 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.8 -0.636 . . . . 3.85 110.556 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -63.21 154.81 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 3.72 110.04 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 -171.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.136 0.493 . . . . 1.66 110.85 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -145.3 160.32 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 1.54 109.755 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.3 mt -131.33 135.86 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 2.16 109.771 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 45.9 m-85 -113.22 156.92 22.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.328 0.585 . . . . 1.49 110.851 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -136.27 130.86 33.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.362 -0.836 . . . . 3.38 109.676 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -93.53 -163.44 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.7 -0.682 . . . . 2.04 109.863 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 28.55 2.81 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.893 0.378 . . . . 3.6 111.014 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.29 19.44 9.8 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.302 -0.408 . . . . 3.0 110.957 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.9 33.94 21.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.08 0.467 . . . . 2.86 110.569 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -122.94 142.68 50.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 3.77 110.597 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.01 140.85 48.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.815 -0.63 . . . . 2.28 110.416 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.9 mm -135.01 135.51 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 2.53 110.21 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -73.78 155.54 38.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.141 0.496 . . . . 1.82 110.452 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.11 147.99 27.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.747 -0.661 . . . . 1.47 110.856 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.89 145.72 33.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.684 -0.689 . . . . 2.22 109.441 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.63 4.58 6.55 Favored 'Trans proline' 0 N--CA 1.476 0.461 0 C-N-CA 121.529 1.486 . . . . 1.21 113.72 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -110.19 21.46 16.72 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.703 -0.399 . . . . 3.76 110.907 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.43 165.06 11.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.046 0.45 . . . . 2.7 110.347 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -80.54 -44.7 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 4.13 110.562 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 64.1 p-90 -75.8 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 1.41 110.256 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 46.9 t -74.76 -40.49 46.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.725 -0.472 . . . . 1.42 109.725 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 2.72 109.721 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.7 -33.23 64.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.544 -0.753 . . . . 1.87 109.321 178.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.6 m -69.07 -49.35 58.11 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.467 -0.788 . . . . 1.21 110.628 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -68.02 -36.48 80.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 2.25 110.087 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -71.06 -36.09 72.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.374 0.607 . . . . 3.17 109.603 179.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CD2' HD21 ' A' ' 20' ' ' LEU . 31.6 t80 -63.61 -51.29 65.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.171 -0.922 . . . . 1.93 109.788 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 59.2 mt -66.38 -42.13 88.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.83 110.102 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.15 -32.01 72.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.35 -0.841 . . . . 1.95 110.257 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 3.38 110.383 179.869 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 121.144 0.497 . . . . 2.06 110.318 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.05 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 3.02 110.105 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 60.14 83.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 3.69 110.419 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.43 140.2 56.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.701 -0.681 . . . . 1.94 110.662 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.74 132.78 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.633 -0.712 . . . . 1.93 110.431 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 3.36 110.219 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -67.55 169.37 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 4.77 110.21 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -99.81 142.84 30.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.071 -0.714 . . . . 3.52 109.071 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.63 139.75 20.66 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.647 -0.706 . . . . 1.78 109.748 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -76.6 155.5 35.66 Favored 'Trans proline' 0 N--CA 1.477 0.503 0 C-N-CA 121.382 1.388 . . . . 1.73 113.028 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 54.5 mt -80.86 -49.49 10.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.114 -0.948 . . . . 1.72 111.342 -179.212 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -55.55 -28.36 54.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 2.62 111.504 -179.162 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -89.54 -14.81 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 4.6 111.411 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.48 145.74 49.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.296 0.569 . . . . 1.66 111.105 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -117.28 -40.17 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.37 -0.832 . . . . 3.03 110.255 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -178.64 160.42 1.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.871 -0.604 . . . . 2.25 109.929 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 25.6 p90 -123.97 155.78 37.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.153 0.502 . . . . 2.53 110.914 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -135.37 124.88 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 4.06 110.244 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -105.73 149.47 26.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.872 -0.604 . . . . 3.03 110.557 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 29' ' ' ILE . 55.1 mt -120.28 138.34 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.672 . . . . 2.17 110.275 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.76 30.17 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 2.73 110.519 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -88.21 -173.33 4.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.014 -0.539 . . . . 3.81 110.467 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.68 30.61 10.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.793 -0.923 . . . . 2.97 110.793 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -111.74 -35.73 5.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.061 0.458 . . . . 5.7 110.437 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -86.57 157.24 55.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 2.17 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.38 -26.98 2.45 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 121.848 1.699 . . . . 2.44 112.632 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -145.7 132.39 19.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 3.85 110.467 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -67.33 157.8 33.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 3.72 110.366 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.26 -178.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 1.66 110.483 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -123.85 158.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.794 -0.639 . . . . 1.54 110.238 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -133.38 130.27 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 2.16 109.525 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.448 ' CE1' ' CB ' ' A' ' 26' ' ' TYR . 31.0 m-85 -109.41 148.11 31.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 1.49 111.044 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -128.26 139.03 52.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.327 -0.851 . . . . 3.38 109.755 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -99.02 -166.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.341 -0.845 . . . . 2.04 110.034 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -97.31 29.0 3.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 3.6 110.845 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mt -126.29 21.6 7.28 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.186 -0.461 . . . . 3.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.51 42.27 11.54 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.239 0.543 . . . . 2.86 110.483 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -129.78 155.07 46.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.806 -0.634 . . . . 3.77 110.404 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -130.52 147.21 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 2.28 110.383 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.2 mm -136.42 156.61 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 2.53 110.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.59 142.2 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.612 . . . . 1.82 110.316 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -148.77 151.31 34.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.837 -0.62 . . . . 1.47 110.799 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.63 147.89 33.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.554 -0.748 . . . . 2.22 109.864 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -80.19 4.96 6.36 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 121.609 1.539 . . . . 1.21 113.538 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -109.75 22.01 16.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.732 -0.387 . . . . 3.76 110.815 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -100.51 169.61 8.95 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.079 0.466 . . . . 2.7 110.286 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -40.83 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 4.13 110.755 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.9 p-90 -80.98 -27.57 35.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 1.41 110.527 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 65.0 t -73.89 -42.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.191 -0.67 . . . . 1.42 109.191 178.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -62.22 -48.41 80.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.561 -0.745 . . . . 2.72 109.604 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 1.87 109.284 178.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -63.92 -52.49 59.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.331 -0.85 . . . . 1.21 110.093 179.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.4 ttm -60.11 -43.16 95.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.85 -0.614 . . . . 2.25 110.467 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -65.66 -40.25 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.358 0.599 . . . . 3.17 109.751 179.489 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 66.7 t80 -63.92 -51.13 65.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.276 -0.875 . . . . 1.93 109.572 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.52 -40.8 96.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.222 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.96 -35.35 78.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 1.95 110.247 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.758 -0.656 . . . . 3.38 110.713 179.941 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.112 0.482 . . . . 2.06 110.364 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -107.12 32.9 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.621 . . . . 3.02 110.388 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -161.34 81.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 3.69 110.525 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.35 140.09 58.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.826 -0.624 . . . . 1.94 110.409 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 127.89 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 1.93 110.497 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -91.33 -33.47 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 3.36 110.183 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -66.41 162.0 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.781 -0.645 . . . . 4.77 110.093 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -95.3 136.89 35.09 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.127 -0.694 . . . . 3.52 109.127 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.83 139.92 20.57 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.549 -0.75 . . . . 1.78 109.765 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -77.59 154.03 30.75 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.332 1.355 . . . . 1.73 113.185 -179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 64' ' ' TYR . 76.3 mt -80.82 -43.12 20.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.077 -0.965 . . . . 1.72 111.126 -179.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -57.54 -29.92 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.651 . . . . 2.62 111.207 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -90.31 -13.57 34.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 4.6 111.348 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.53 146.34 53.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.343 0.592 . . . . 1.66 111.142 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.5 -41.64 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.266 -0.879 . . . . 3.03 110.158 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t 179.71 149.5 0.31 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.794 -0.639 . . . . 2.25 109.999 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -111.88 155.63 23.33 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.547 -0.461 . . . . 2.53 110.704 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -128.04 101.35 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 4.06 110.468 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -77.65 146.88 35.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 3.03 110.387 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 HG23 HD11 ' A' ' 29' ' ' ILE . 43.6 mt -116.11 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.623 -0.717 . . . . 2.17 110.332 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t 178.81 39.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 2.73 110.376 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -80.95 -56.15 4.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 3.81 110.622 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.75 -24.81 1.48 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.037 -0.825 . . . . 2.97 111.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -69.46 -28.85 66.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.921 0.391 . . . . 5.7 110.703 -179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.81 157.9 71.24 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.229 -0.441 . . . . 2.17 110.293 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -81.66 -25.64 3.56 Favored 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 121.876 1.718 . . . . 2.44 112.758 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -143.52 151.08 39.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 3.85 110.471 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -82.79 148.38 27.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 3.72 110.41 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.81 -177.32 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 1.66 110.42 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.16 158.49 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 1.54 110.516 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.5 mt -131.28 139.06 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.267 -0.879 . . . . 2.16 109.51 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.5 m-85 -118.27 146.95 43.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.335 0.588 . . . . 1.49 111.029 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -127.9 140.0 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 3.38 109.819 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 p -104.01 -166.67 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.312 -0.858 . . . . 2.04 109.96 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -97.79 29.11 3.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.964 0.412 . . . . 3.6 110.605 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.69 20.51 10.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.122 -0.49 . . . . 3.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.87 42.03 13.65 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.221 0.534 . . . . 2.86 110.622 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -135.96 160.59 38.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 3.77 110.358 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -134.77 154.62 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.492 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 49' ' ' ILE . 54.9 mt -142.09 159.57 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 2.53 110.308 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.2 m -95.9 139.44 32.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 1.82 110.324 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.45 145.72 41.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 1.47 110.623 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -90.37 150.93 43.82 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.755 -0.657 . . . . 2.22 110.236 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.56 6.49 5.6 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 121.781 1.654 . . . . 1.21 113.571 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -110.21 19.89 18.42 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.566 -0.454 . . . . 3.76 111.217 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.6 mmtm -100.6 162.38 12.97 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.079 0.466 . . . . 2.7 110.4 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -82.63 -37.25 25.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.851 -0.613 . . . . 4.13 110.55 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CE2' HG22 ' A' ' 58' ' ' VAL . 66.0 p-90 -81.23 -30.37 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 1.41 110.247 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG22 ' CE2' ' A' ' 57' ' ' TRP . 93.9 t -70.59 -45.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 109.327 -0.62 . . . . 1.42 109.327 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.13 -46.84 88.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 2.72 109.736 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.48 -33.08 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.428 -0.806 . . . . 1.87 109.205 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.7 m -65.06 -54.64 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.403 -0.817 . . . . 1.21 110.457 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.2 ptp -61.45 -38.25 86.5 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.526 -0.47 . . . . 2.25 110.599 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -70.77 -37.84 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.365 0.602 . . . . 3.17 109.878 179.52 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CD2' HD21 ' A' ' 20' ' ' LEU . 60.7 t80 -66.58 -49.05 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 1.93 109.661 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -65.75 -40.58 92.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 1.83 110.145 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.35 -35.89 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.328 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 3.38 110.404 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.461 0.114 0 CA-C-O 121.268 0.556 . . . . 2.06 110.715 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -135.8 160.22 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 3.02 110.061 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.17 68.25 0.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.522 0.677 . . . . 3.69 110.218 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.71 145.4 54.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 1.94 110.557 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 145.03 46.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 1.93 110.682 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -105.65 -36.99 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.817 -0.628 . . . . 3.36 110.339 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -68.23 154.73 41.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.781 -0.645 . . . . 4.77 110.207 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 22.1 mttp -86.32 127.62 34.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 3.52 110.649 -179.875 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.3 mt -89.78 140.14 27.85 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.623 -0.717 . . . . 1.78 109.767 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -76.19 155.95 37.67 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.379 1.386 . . . . 1.73 113.119 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 29.4 mt -80.68 -42.84 21.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.131 -0.941 . . . . 1.72 111.24 -179.375 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.55 -29.89 64.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.893 -0.594 . . . . 2.62 111.18 -179.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -13.94 39.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 4.6 111.459 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.98 153.33 38.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.564 0.697 . . . . 1.66 111.639 -179.18 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -42.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.755 -1.111 . . . . 3.03 110.179 179.44 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -167.22 177.58 6.08 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.844 -0.616 . . . . 2.25 109.846 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.3 p90 -149.0 158.22 44.02 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.315 -0.554 . . . . 2.53 111.202 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -134.98 119.04 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.521 -0.763 . . . . 4.06 110.186 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -89.17 150.43 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 3.03 110.703 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -111.39 138.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.644 -0.707 . . . . 2.17 110.195 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -159.25 31.01 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.869 -0.605 . . . . 2.73 110.392 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.12 132.03 39.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.842 -0.617 . . . . 3.81 110.528 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.89 -26.27 65.14 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.122 -0.791 . . . . 2.97 111.122 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.71 -35.91 75.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.031 0.443 . . . . 5.7 110.536 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.41 151.09 88.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 2.17 110.312 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -81.43 -27.61 2.68 Favored 'Trans proline' 0 N--CA 1.473 0.288 0 C-N-CA 121.892 1.728 . . . . 2.44 112.497 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -150.37 134.2 16.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.807 -0.633 . . . . 3.85 110.434 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 169.91 1.5 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.743 -0.662 . . . . 3.72 110.399 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.77 -178.16 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.018 -0.537 . . . . 1.66 110.735 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.8 t -140.52 159.01 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.613 -0.721 . . . . 1.54 110.002 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.95 129.49 47.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.592 -0.731 . . . . 2.16 109.699 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 52.0 m-85 -106.79 146.22 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.577 . . . . 1.49 110.968 -179.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -119.57 139.82 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.308 -0.86 . . . . 3.38 109.525 179.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -105.51 -169.34 1.58 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.463 -0.79 . . . . 2.04 110.075 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -98.32 29.45 3.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.244 -0.434 . . . . 3.6 110.862 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -124.72 21.14 8.44 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.157 -0.474 . . . . 3.0 111.05 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 38.52 17.82 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.227 0.537 . . . . 2.86 110.647 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -135.8 142.06 44.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 3.77 110.482 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -117.46 146.62 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.491 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.4 mm -135.3 154.8 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.641 . . . . 2.53 110.123 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 m -92.47 156.24 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.82 110.283 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -154.34 151.7 29.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.798 -0.637 . . . . 1.47 111.001 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.73 139.62 27.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.493 -0.776 . . . . 2.22 109.697 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.66 2.14 8.12 Favored 'Trans proline' 0 N--CA 1.476 0.494 0 C-N-CA 121.446 1.431 . . . . 1.21 113.775 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -110.09 24.32 13.17 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.665 -0.414 . . . . 3.76 110.758 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.57 169.29 9.16 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.009 0.433 . . . . 2.7 110.209 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -85.07 -36.79 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.592 . . . . 4.13 110.69 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.43 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.2 p-90 -83.95 -29.81 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 1.41 110.321 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.414 HG21 ' CH2' ' A' ' 57' ' ' TRP . 58.9 t -71.04 -46.24 68.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.288 -0.634 . . . . 1.42 109.288 178.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.72 -47.41 86.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.743 -0.662 . . . . 2.72 109.715 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -32.84 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.402 -0.817 . . . . 1.87 109.158 178.463 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.8 m -65.75 -54.21 30.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.455 -0.793 . . . . 1.21 110.432 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 ptm -61.5 -36.55 80.82 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.509 -0.476 . . . . 2.25 110.406 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -69.88 -34.15 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.332 0.587 . . . . 3.17 109.784 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 41.6 t80 -62.22 -51.95 65.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.347 -0.842 . . . . 1.93 110.1 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 26' ' ' TYR . 47.7 mt -63.88 -43.28 96.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.83 110.356 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.26 -33.15 71.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.637 -0.71 . . . . 1.95 109.774 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 115.605 -0.725 . . . . 3.38 111.538 179.627 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 121.053 0.454 . . . . 2.06 110.293 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -121.0 -22.23 6.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.89 -0.595 . . . . 3.02 112.103 -179.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -117.11 16.3 14.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.088 -0.645 . . . . 3.69 112.694 -179.296 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 37.39 -160.04 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 O-C-N 123.455 0.472 . . . . 1.94 112.159 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.31 143.83 51.16 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.106 0.479 . . . . 1.93 110.465 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.81 -34.63 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 3.36 110.327 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 118.93 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 4.77 110.247 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -60.17 151.44 27.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 3.52 110.739 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.1 mt -110.94 140.02 22.31 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.642 -0.708 . . . . 1.78 109.927 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.19 159.71 26.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.475 1.45 . . . . 1.73 112.696 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.3 mt -80.48 -39.77 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.506 -0.77 . . . . 1.72 111.048 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.91 -30.32 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 2.62 110.893 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -92.25 -11.27 35.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 4.6 111.507 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.74 138.19 42.55 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 1.66 110.924 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.2 -34.16 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 3.03 110.215 179.435 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.9 p -178.19 -172.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.851 -0.613 . . . . 2.25 110.051 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 1.0 OUTLIER -154.45 155.68 35.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 2.53 110.508 179.779 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -140.26 111.35 7.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 4.06 110.735 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -82.7 149.21 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.818 -0.628 . . . . 3.03 110.066 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mt -111.16 120.6 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 2.17 110.386 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -165.85 32.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.279 -0.873 . . . . 2.73 110.247 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -81.33 -62.68 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 3.81 110.846 -179.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.04 -24.87 0.61 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.301 -0.72 . . . . 2.97 111.301 -179.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -69.29 -32.16 71.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.965 0.412 . . . . 5.7 110.382 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.95 150.71 59.25 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.981 -0.554 . . . . 2.17 110.202 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.99 -25.39 3.47 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.805 1.67 . . . . 2.44 112.772 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -126.24 145.0 50.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.963 -0.562 . . . . 3.85 110.506 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 92.23 7.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 3.72 110.214 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.02 -177.26 3.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.885 -0.598 . . . . 1.66 110.635 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.74 156.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 1.54 110.192 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.85 129.92 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.227 -0.897 . . . . 2.16 109.386 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -106.21 148.01 28.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.39 0.614 . . . . 1.49 111.141 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -118.8 124.98 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.328 -0.851 . . . . 3.38 109.676 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 p -89.92 -174.04 4.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 2.04 110.13 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -97.38 29.94 3.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.209 -0.45 . . . . 3.6 110.739 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -124.67 20.96 8.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.111 -0.495 . . . . 3.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 37.55 15.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.005 0.431 . . . . 2.86 110.81 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -138.13 139.77 39.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.222 0.534 . . . . 3.77 110.527 179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.01 151.05 23.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.655 -0.702 . . . . 2.28 110.445 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 49' ' ' ILE . 53.6 mt -134.38 156.86 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.839 -0.619 . . . . 2.53 110.221 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.0 m -96.2 154.3 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.563 -0.744 . . . . 1.82 110.564 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.07 156.77 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.259 0.552 . . . . 1.47 111.377 -179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -101.46 150.17 37.0 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.543 -0.753 . . . . 2.22 110.23 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -80.28 4.11 7.09 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.646 1.564 . . . . 1.21 113.405 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.51 17.83 20.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.741 -0.384 . . . . 3.76 111.486 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -100.35 155.49 17.77 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.477 -0.489 . . . . 2.7 110.347 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -73.02 -41.61 64.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 4.13 110.834 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.426 ' CE2' HG22 ' A' ' 58' ' ' VAL . 61.5 p-90 -76.28 -29.07 57.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.41 110.657 -179.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG22 ' CE2' ' A' ' 57' ' ' TRP . 67.1 t -75.33 -41.39 43.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.158 -0.682 . . . . 1.42 109.158 178.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.61 -46.74 88.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.56 -0.746 . . . . 2.72 109.912 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.53 -35.79 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.745 . . . . 1.87 109.4 178.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.97 -50.85 66.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.35 -0.841 . . . . 1.21 109.918 179.362 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.426 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 2.2 ttp -62.21 -46.96 86.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.715 -0.675 . . . . 2.25 110.331 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -64.05 -34.73 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.624 . . . . 3.17 109.59 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 34.7 t80 -62.44 -53.51 53.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.339 -0.846 . . . . 1.93 109.851 179.593 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 26' ' ' TYR . 50.3 mt -66.42 -41.7 88.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.76 -0.654 . . . . 1.83 110.006 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.21 -32.24 72.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.293 -0.867 . . . . 1.95 110.201 179.419 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.889 -0.596 . . . . 3.38 110.488 179.9 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 121.142 0.496 . . . . 2.06 110.83 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -112.72 -36.28 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.734 -0.666 . . . . 3.02 110.403 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.15 94.8 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 3.69 110.309 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.42 140.33 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 1.94 110.402 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.38 35.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 1.93 110.425 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.01 -31.85 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.765 -0.652 . . . . 3.36 110.406 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -70.26 121.03 16.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 4.77 110.628 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 1.6 mtpt -58.32 124.42 19.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 3.52 110.45 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.81 139.73 27.75 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.766 -0.652 . . . . 1.78 109.961 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.71 157.06 24.59 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.458 1.438 . . . . 1.73 112.924 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 64' ' ' TYR . 31.5 mt -80.88 -43.91 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 1.72 111.187 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.28 -28.94 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.795 -0.639 . . . . 2.62 111.239 -179.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -91.32 -12.35 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 4.6 111.517 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.59 145.12 47.59 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.344 0.592 . . . . 1.66 111.015 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -116.57 -40.81 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 3.03 110.094 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.03 175.53 2.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.717 -0.674 . . . . 2.25 109.809 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.6 p90 -143.75 156.16 44.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.353 -0.539 . . . . 2.53 110.917 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -130.91 116.24 17.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.564 -0.744 . . . . 4.06 110.021 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -88.34 143.94 26.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.398 0.618 . . . . 3.03 110.782 -179.59 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 mt -105.89 -153.81 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.182 -0.917 . . . . 2.17 108.614 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p 78.14 35.44 0.26 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.274 0.559 . . . . 2.73 110.099 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -109.97 -171.23 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 3.81 110.192 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.44 63.25 3.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.686 -0.965 . . . . 2.97 110.686 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -165.33 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 5.7 110.588 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -66.2 152.27 94.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.682 -0.69 . . . . 2.17 110.432 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.17 -57.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.942 1.762 . . . . 2.44 112.716 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -81.88 -177.96 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.7 -0.682 . . . . 3.85 110.444 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 136.94 54.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.743 -0.662 . . . . 3.72 110.455 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.58 -173.42 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.883 -0.599 . . . . 1.66 110.615 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.33 159.59 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.639 -0.71 . . . . 1.54 109.923 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.12 136.49 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 2.16 109.849 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 42.6 m-85 -116.87 149.8 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.297 0.57 . . . . 1.49 111.001 -179.298 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.81 141.16 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.394 -0.821 . . . . 3.38 109.945 179.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -104.32 -166.15 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 2.04 110.103 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -97.5 29.42 3.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.851 0.358 . . . . 3.6 110.829 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.46 19.81 8.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.966 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 37.42 19.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.219 0.533 . . . . 2.86 110.609 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -130.49 147.39 52.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 3.77 110.468 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.93 149.23 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 2.28 110.414 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' ILE . 3.0 mp -134.0 162.39 39.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.78 -0.646 . . . . 2.53 110.017 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.1 m -98.39 144.26 27.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.6 -0.727 . . . . 1.82 110.167 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.05 149.44 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.47 110.806 -179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.64 147.52 33.13 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.697 -0.683 . . . . 2.22 109.773 179.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.87 6.4 5.55 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 121.615 1.544 . . . . 1.21 113.709 -179.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -110.19 19.4 18.95 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.703 -0.399 . . . . 3.76 111.135 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.6 160.92 13.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.06 0.457 . . . . 2.7 110.415 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.41 -32.61 37.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 4.13 110.784 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.47 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 68.1 p-90 -85.51 -26.5 26.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.504 -0.478 . . . . 1.41 110.488 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' CZ3' ' A' ' 57' ' ' TRP . 88.9 t -74.3 -43.98 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.197 -0.668 . . . . 1.42 109.197 178.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.88 -40.56 95.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 2.72 109.553 179.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -33.92 69.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.93 -0.767 . . . . 1.87 108.93 178.311 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -66.17 -54.74 21.69 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.285 -0.87 . . . . 1.21 110.488 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.25 -33.88 75.46 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.433 -0.507 . . . . 2.25 110.136 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.465 0.65 . . . . 3.17 109.387 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CG ' HD23 ' A' ' 20' ' ' LEU . 33.1 t80 -60.92 -50.55 72.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.16 -0.927 . . . . 1.93 110.032 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' A' ' 26' ' ' TYR . 75.5 mt -65.74 -41.59 91.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.83 110.534 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -28.64 67.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.454 -0.793 . . . . 1.95 110.348 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 3.38 111.123 -179.631 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.147 0.498 . . . . 2.06 110.434 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.72 -32.96 11.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.774 -0.648 . . . . 3.02 110.417 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.17 80.67 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.761 -0.654 . . . . 3.69 110.374 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.52 140.36 58.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.715 -0.675 . . . . 1.94 110.408 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 136.39 52.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 1.93 110.434 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.38 -33.82 9.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.802 -0.635 . . . . 3.36 110.403 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -79.17 131.13 36.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.76 -0.655 . . . . 4.77 110.312 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.7 mtmt -63.83 125.55 24.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 3.52 110.535 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.3 mt -89.88 139.87 27.66 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.625 -0.716 . . . . 1.78 109.866 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.02 157.57 34.32 Favored 'Trans proline' 0 N--CA 1.475 0.439 0 C-N-CA 121.421 1.414 . . . . 1.73 112.988 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 50.6 mt -80.46 -41.45 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 1.72 111.089 -179.374 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -57.87 -30.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 2.62 110.957 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -89.18 -14.39 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 4.6 111.274 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.01 145.92 44.19 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.267 0.556 . . . . 1.66 111.122 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -117.05 -39.71 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.419 -0.81 . . . . 3.03 110.382 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.8 p -172.46 -170.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 2.25 110.484 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -153.97 147.5 25.09 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.948 -0.569 . . . . 2.53 110.743 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -130.9 98.88 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.466 -0.788 . . . . 4.06 110.39 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -63.93 148.64 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.849 -0.614 . . . . 3.03 110.481 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mt -114.61 135.44 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.556 -0.747 . . . . 2.17 110.16 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -178.12 38.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.596 . . . . 2.73 110.365 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 t -61.28 -31.84 71.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 3.81 110.651 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.47 -28.46 7.84 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.988 -0.845 . . . . 2.97 110.988 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.75 -32.45 70.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.007 0.432 . . . . 5.7 110.581 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.45 154.06 95.22 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.901 -0.59 . . . . 2.17 110.394 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.97 -27.25 2.56 Favored 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 121.846 1.697 . . . . 2.44 112.66 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.46 130.69 26.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 3.85 110.621 -179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 154.54 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 3.72 110.308 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.49 -178.06 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 1.66 110.572 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -135.92 158.11 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.704 -0.68 . . . . 1.54 110.33 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.71 129.26 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.324 -0.853 . . . . 2.16 109.631 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE2' ' CB ' ' A' ' 61' ' ' SER . 14.7 m-30 -112.52 147.07 37.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.439 0.637 . . . . 1.49 111.019 -179.456 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -122.09 138.1 54.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.194 -0.912 . . . . 3.38 109.358 178.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -98.46 -165.37 1.24 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.39 -0.823 . . . . 2.04 109.891 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.85 29.12 3.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.393 . . . . 3.6 110.723 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mt -122.31 19.86 10.56 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.106 -0.497 . . . . 3.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 38.14 19.64 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.115 0.484 . . . . 2.86 110.681 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -135.7 147.51 48.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 3.77 110.444 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.26 154.04 28.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.619 -0.719 . . . . 2.28 110.29 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.454 HG22 HD11 ' A' ' 49' ' ' ILE . 55.5 mt -141.72 159.18 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 2.53 110.306 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.7 m -90.24 144.58 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 1.82 110.086 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.86 137.79 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.47 110.763 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.73 151.05 43.35 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.107 179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.41 5.87 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 121.694 1.596 . . . . 1.21 113.422 -179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.17 18.99 19.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.582 -0.447 . . . . 3.76 111.259 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -100.59 152.96 19.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.034 0.445 . . . . 2.7 110.261 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -71.54 -42.87 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 4.13 110.56 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 64.3 p-90 -76.02 -26.4 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.909 -0.587 . . . . 1.41 110.558 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t -79.5 -40.41 21.46 Favored 'Isoleucine or valine' 0 C--O 1.23 0.044 0 N-CA-C 109.378 -0.601 . . . . 1.42 109.378 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.94 -40.92 99.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.407 0.623 . . . . 2.72 109.665 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.72 -32.89 68.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 1.87 109.354 178.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 2.0 m -67.47 -49.86 61.67 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.529 -0.76 . . . . 1.21 110.53 179.628 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 ptm -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.1 -0.5 . . . . 2.25 110.111 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -71.6 -37.93 70.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.452 0.644 . . . . 3.17 109.404 179.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 21.9 t80 -63.44 -48.12 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.125 -0.943 . . . . 1.93 109.547 179.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 98.2 mt -66.54 -44.1 83.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.612 -0.722 . . . . 1.83 110.116 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.98 -33.51 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 1.95 109.988 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.739 -0.664 . . . . 3.38 110.765 179.978 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 14.8 t . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.111 0.481 . . . . 2.06 110.12 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 10' ' ' CYS . 33.7 m-85 -137.91 36.29 2.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 3.02 110.242 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -154.2 62.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 3.69 109.826 179.69 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.51 144.36 42.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.472 -0.785 . . . . 1.94 110.904 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.83 142.75 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.699 -0.682 . . . . 1.93 110.579 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -105.05 -35.99 7.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 3.36 110.272 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -82.48 124.35 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.732 -0.667 . . . . 4.77 110.281 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -58.83 130.86 48.98 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.857 -0.61 . . . . 3.52 110.876 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.438 HG23 HD11 ' A' ' 18' ' ' ILE . 63.6 mt -89.81 139.92 27.78 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.634 -0.712 . . . . 1.78 109.825 179.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -77.66 159.11 31.91 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.343 1.362 . . . . 1.73 112.979 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 27.3 mt -80.39 -39.25 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.398 -0.819 . . . . 1.72 110.997 -179.515 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -59.05 -30.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 2.62 110.898 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -92.14 -11.38 35.78 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.888 -0.597 . . . . 4.6 111.404 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.73 146.17 36.1 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.411 0.624 . . . . 1.66 111.222 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.35 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.191 -0.913 . . . . 3.03 110.064 179.156 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -177.74 178.38 1.0 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.768 -0.651 . . . . 2.25 109.792 179.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 62' ' ' MET . 7.8 p90 -140.61 160.47 39.94 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.461 -0.496 . . . . 2.53 110.632 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -139.52 101.53 4.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 4.06 110.443 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.81 149.68 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.626 . . . . 3.03 110.195 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.8 mt -112.02 155.49 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.748 -0.66 . . . . 2.17 110.373 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 t -175.5 41.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.631 . . . . 2.73 110.213 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.56 164.94 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 3.81 110.691 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.6 -29.51 29.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.964 -0.854 . . . . 2.97 110.964 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -99.08 30.02 3.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.914 0.388 . . . . 5.7 110.584 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.86 148.36 35.72 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.106 -0.497 . . . . 2.17 110.251 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.74 -32.88 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.836 1.691 . . . . 2.44 112.649 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -149.95 146.23 26.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.781 -0.645 . . . . 3.85 110.472 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -76.72 166.65 23.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.746 -0.661 . . . . 3.72 110.236 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.71 -177.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 1.66 110.603 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.4 t -134.03 158.97 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.759 -0.655 . . . . 1.54 110.399 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.99 130.7 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.427 -0.806 . . . . 2.16 109.957 179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.02 154.14 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.27 0.557 . . . . 1.49 111.018 -179.432 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -132.47 128.43 37.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.492 -0.777 . . . . 3.38 109.866 179.29 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -89.73 -166.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 2.04 109.995 -179.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -97.52 29.19 3.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 3.6 110.72 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.55 20.82 10.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.238 -0.437 . . . . 3.0 110.967 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.68 36.75 19.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.14 0.495 . . . . 2.86 110.56 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 140.95 49.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.928 -0.578 . . . . 3.77 110.52 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -114.48 149.05 36.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.777 -0.647 . . . . 2.28 110.25 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 HG22 HD11 ' A' ' 49' ' ' ILE . 56.9 mt -137.25 158.77 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.857 -0.61 . . . . 2.53 110.329 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.56 154.48 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.734 -0.666 . . . . 1.82 110.268 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.0 21.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.47 110.527 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.85 144.12 31.14 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.815 -0.63 . . . . 2.22 109.83 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.19 -0.85 11.09 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.584 1.523 . . . . 1.21 113.544 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -110.3 24.5 12.91 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.654 -0.418 . . . . 3.76 110.98 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 176.04 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.064 0.459 . . . . 2.7 110.431 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -88.16 -53.08 4.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 4.13 110.851 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CE2' HG21 ' A' ' 58' ' ' VAL . 68.1 p-90 -69.48 -27.84 65.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 1.41 110.186 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' CE2' ' A' ' 57' ' ' TRP . 47.8 t -73.99 -38.81 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.122 -0.695 . . . . 1.42 109.122 178.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.16 -47.53 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.608 -0.724 . . . . 2.72 109.356 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.76 -35.25 79.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 1.87 109.315 178.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -64.89 -51.99 58.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.363 -0.835 . . . . 1.21 110.025 179.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 4.0 ttp -62.95 -43.91 97.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.739 -0.664 . . . . 2.25 110.094 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -65.1 -35.77 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 3.17 109.548 179.245 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 30.5 t80 -62.15 -54.68 37.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.282 -0.872 . . . . 1.93 109.832 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.07 -41.24 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.701 -0.681 . . . . 1.83 109.916 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.64 -29.55 70.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.291 -0.868 . . . . 1.95 110.132 179.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.038 -0.528 . . . . 3.38 111.709 -179.832 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.12 0.486 . . . . 2.06 110.568 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -109.85 -32.69 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.773 -0.648 . . . . 3.02 110.335 179.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -83.29 83.2 7.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 3.69 110.128 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.58 142.42 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.518 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 157.78 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 1.93 110.589 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.865 -0.607 . . . . 3.36 110.302 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -73.58 122.22 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 4.77 110.173 179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -58.85 134.38 56.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 3.52 110.761 -179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -89.94 139.9 27.57 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.589 -0.732 . . . . 1.78 109.993 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.91 159.14 31.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.439 1.426 . . . . 1.73 112.823 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 27.4 mt -80.55 -42.39 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.437 -0.801 . . . . 1.72 111.126 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 2.62 111.071 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -92.12 -12.23 33.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.999 -0.546 . . . . 4.6 111.366 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.1 146.04 43.9 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.395 0.617 . . . . 1.66 111.135 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.47 -41.86 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.195 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 t 179.84 156.04 0.6 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.811 -0.631 . . . . 2.25 109.892 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -118.29 158.71 24.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.062 0.458 . . . . 2.53 110.711 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -132.99 107.44 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 4.06 110.314 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -87.49 151.22 23.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.866 -0.606 . . . . 3.03 110.549 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -113.61 152.11 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 2.17 110.235 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -161.95 31.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.786 -0.643 . . . . 2.73 110.472 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -68.15 150.75 47.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 3.81 110.52 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.16 -32.27 63.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.737 -0.945 . . . . 2.97 110.737 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -31.2 68.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 5.7 110.575 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.42 147.94 81.33 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 2.17 110.348 -179.832 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.16 -29.78 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.763 1.642 . . . . 2.44 112.445 179.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -153.78 132.94 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 3.85 110.384 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -65.36 143.43 57.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 3.72 110.608 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.95 -176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.79 -0.641 . . . . 1.66 110.254 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -133.41 157.84 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.406 0.622 . . . . 1.54 110.693 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.0 mt -134.55 130.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.099 -0.955 . . . . 2.16 109.555 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -107.88 147.52 30.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.407 0.622 . . . . 1.49 111.053 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -128.07 127.26 42.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.264 -0.88 . . . . 3.38 109.625 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -91.08 -167.31 1.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.018 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.55 28.54 3.72 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 3.6 110.701 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -120.86 21.35 11.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.161 -0.472 . . . . 3.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.64 36.01 19.75 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.126 0.489 . . . . 2.86 110.572 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -130.78 152.42 50.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 3.77 110.549 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -123.85 153.48 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.845 -0.616 . . . . 2.28 110.249 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.42 159.48 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.904 -0.589 . . . . 2.53 110.395 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.2 m -94.54 146.76 23.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 1.82 110.345 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.21 141.05 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 1.47 110.647 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.2 159.0 30.96 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.801 -0.636 . . . . 2.22 109.926 179.782 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -80.61 7.28 4.91 Favored 'Trans proline' 0 N--CA 1.477 0.511 0 C-N-CA 121.849 1.699 . . . . 1.21 113.757 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.11 10.43 39.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.652 -0.419 . . . . 3.76 111.487 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.47 158.05 16.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.098 0.475 . . . . 2.7 110.449 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -75.83 -48.17 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 4.13 110.732 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CE2' HG22 ' A' ' 58' ' ' VAL . 64.7 p-90 -69.23 -28.17 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 1.41 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CE2' ' A' ' 57' ' ' TRP . 59.4 t -75.46 -38.03 38.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.183 -0.673 . . . . 1.42 109.183 178.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.97 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 2.72 109.517 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.85 -35.6 80.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 1.87 109.322 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -65.59 -50.68 64.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.325 -0.852 . . . . 1.21 110.111 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.17 -41.75 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 2.25 110.229 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -67.41 -40.64 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.357 0.598 . . . . 3.17 109.793 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 59.1 t80 -64.98 -49.41 70.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.272 -0.876 . . . . 1.93 109.481 179.455 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -40.63 89.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.648 -0.706 . . . . 1.83 109.991 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.13 -34.51 73.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 1.95 110.197 179.471 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.685 . . . . 3.38 110.328 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.528 -1.429 . . . . 13.84 109.528 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.97 -51.61 0.04 OUTLIER 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 121.935 1.757 . . . . 13.34 112.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.88 176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.789 -0.641 . . . . 10.68 110.413 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -134.97 -54.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 8.48 110.45 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.434 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 5.9 t -155.93 -66.55 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 115.792 -0.64 . . . . 6.62 109.926 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' HD3' ' HB ' ' A' ' 5' ' ' VAL . 38.3 Cg_endo -73.31 112.23 3.48 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 121.153 1.235 . . . . 5.86 112.557 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.92 95.14 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.761 -0.654 . . . . 5.03 110.396 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -149.66 -64.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.629 . . . . 4.32 110.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -150.23 161.24 42.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.571 -0.74 . . . . 2.4 110.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.99 150.39 33.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 2.06 110.59 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -133.81 -47.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.759 -0.655 . . . . 3.02 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.38 93.67 9.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.689 . . . . 3.69 110.287 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.04 152.85 26.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 1.94 110.582 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.34 139.03 35.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.746 -0.661 . . . . 1.93 110.53 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -101.8 -36.5 8.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 3.36 110.28 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -79.07 119.01 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.741 -0.663 . . . . 4.77 110.305 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -59.04 130.73 48.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 3.52 110.791 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 18' ' ' ILE . 61.4 mt -89.84 139.52 27.67 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.741 -0.663 . . . . 1.78 109.921 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.53 160.94 25.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 121.501 1.467 . . . . 1.73 112.766 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 26.1 mt -80.45 -40.83 25.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 1.72 111.09 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 2.62 110.906 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -91.31 -12.98 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 4.6 111.332 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.76 143.57 51.17 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.299 0.571 . . . . 1.66 110.903 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.66 -41.31 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.354 -0.839 . . . . 3.03 110.112 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 p -169.43 -179.6 3.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.775 -0.648 . . . . 2.25 109.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 1.5 p90 -151.45 154.19 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 2.53 110.563 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -139.44 128.47 23.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 4.06 110.686 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -107.87 148.07 30.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.77 -0.65 . . . . 3.03 110.186 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -127.09 140.29 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.767 -0.651 . . . . 2.17 110.489 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -164.62 32.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.712 -0.677 . . . . 2.73 110.316 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -171.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.728 -0.669 . . . . 3.81 110.609 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.19 -9.48 53.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 115.842 -0.617 . . . . 2.97 111.879 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -98.66 29.91 3.51 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-O 121.018 0.437 . . . . 5.7 110.766 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.02 149.5 73.47 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.006 -0.543 . . . . 2.17 110.233 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.77 -28.13 1.8 Allowed 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.907 1.738 . . . . 2.44 112.484 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -136.91 170.76 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 3.85 110.412 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.58 136.02 50.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 3.72 110.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.05 -171.91 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.799 -0.637 . . . . 1.66 110.545 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.81 159.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.751 -0.659 . . . . 1.54 110.176 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.84 130.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 2.16 109.546 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -107.05 151.09 25.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.266 0.555 . . . . 1.49 110.923 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -128.1 126.96 42.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.46 -0.791 . . . . 3.38 109.672 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.1 p -89.91 -167.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 2.04 110.034 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -97.93 29.1 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 3.6 110.63 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -121.81 20.3 10.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.179 -0.464 . . . . 3.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.51 36.75 19.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.176 0.512 . . . . 2.86 110.632 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -132.67 145.13 50.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.91 -0.587 . . . . 3.77 110.56 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -116.06 147.03 41.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 2.28 110.354 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.3 mm -134.81 152.51 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.896 -0.593 . . . . 2.53 110.387 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.09 152.98 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 1.82 110.219 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.11 137.74 10.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 1.47 110.507 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -93.52 153.1 41.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 2.22 109.951 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.52 12.7 2.79 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 121.9 1.733 . . . . 1.21 113.931 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -110.08 16.75 21.64 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.636 -0.426 . . . . 3.76 111.421 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -100.48 171.04 7.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.134 0.492 . . . . 2.7 110.491 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -88.42 -33.02 18.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.856 -0.611 . . . . 4.13 110.499 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CE2' HG21 ' A' ' 58' ' ' VAL . 68.1 p-90 -86.35 -26.57 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 1.41 110.448 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.427 HG21 ' CE2' ' A' ' 57' ' ' TRP . 64.6 t -75.48 -42.53 42.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 109.336 -0.616 . . . . 1.42 109.336 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.85 -47.75 82.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 2.72 109.737 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.33 -35.52 80.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.467 -0.788 . . . . 1.87 109.34 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -64.63 -52.01 59.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.363 -0.835 . . . . 1.21 109.931 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.9 ttm -61.62 -44.79 96.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 2.25 110.238 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -64.44 -35.1 79.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.82 -0.627 . . . . 3.17 109.707 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 42.0 t80 -62.8 -53.49 53.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.204 -0.907 . . . . 1.93 109.842 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 56.7 mt -65.72 -41.82 91.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 1.83 110.045 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.31 -33.64 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.257 -0.883 . . . . 1.95 110.207 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -81.71 -48.53 11.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 3.38 110.569 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -65.03 -34.51 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.652 -0.704 . . . . 4.52 110.638 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -60.94 146.47 87.3 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.994 -0.548 . . . . 3.01 110.478 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.9 -57.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.475 0.41 0 C-N-CA 121.794 1.662 . . . . 4.86 112.614 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -174.62 148.01 1.18 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.578 -0.737 . . . . 5.56 110.326 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.74 174.72 10.08 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.795 1.664 . . . . 8.11 112.509 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 0.1 OUTLIER 177.32 -55.66 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.824 -0.626 . . . . 12.09 110.368 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.5 Cg_endo . . . . . 0 C--N 1.347 0.483 0 C-N-CA 121.46 1.44 . . . . 11.26 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.583 -1.407 . . . . 13.84 109.583 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.99 -57.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.861 1.707 . . . . 13.34 112.552 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.08 99.05 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.68 110.406 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.64 178.86 6.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 8.48 110.39 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.3 p -66.81 140.42 96.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.784 -0.644 . . . . 6.62 110.106 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.67 106.35 1.48 Allowed 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 121.724 1.616 . . . . 5.86 112.543 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -61.55 109.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.885 -0.598 . . . . 5.03 110.489 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -130.88 12.88 5.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.854 -0.612 . . . . 4.32 111.449 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.8 m -96.77 -170.68 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.821 -0.437 . . . . 2.4 109.821 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -141.62 127.73 19.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.174 0.512 . . . . 2.06 110.652 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -108.68 -32.42 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 3.02 110.259 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.05 83.41 5.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.874 -0.603 . . . . 3.69 110.382 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.17 140.53 48.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.428 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 137.12 58.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.93 110.534 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.73 -36.39 8.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.794 -0.639 . . . . 3.36 110.352 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -80.78 122.75 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.725 -0.67 . . . . 4.77 110.302 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -60.99 138.04 58.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.829 -0.623 . . . . 3.52 110.65 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 18' ' ' ILE . 61.4 mt -97.58 139.78 21.59 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.799 -0.637 . . . . 1.78 110.01 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.5 159.3 25.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.582 1.521 . . . . 1.73 112.894 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.62 -38.2 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.72 110.937 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -59.3 -31.2 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 2.62 110.836 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -94.4 -10.84 31.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 4.6 111.254 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.58 142.63 51.71 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.275 0.56 . . . . 1.66 110.816 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.28 -41.36 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 3.03 109.953 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.32 -179.66 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.668 -0.697 . . . . 2.25 109.879 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.426 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 2.0 p90 -149.77 151.34 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 2.53 110.692 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 106.6 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 4.06 110.406 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.3 ttp85 -84.46 146.67 27.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.821 -0.627 . . . . 3.03 110.384 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.06 134.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 2.17 110.379 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 m -164.1 31.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 2.73 110.427 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 t -74.36 -173.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.943 -0.571 . . . . 3.81 110.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.32 31.57 7.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.759 -0.936 . . . . 2.97 110.759 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -114.37 -38.62 4.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.084 0.468 . . . . 5.7 110.526 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.98 150.49 58.67 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.864 -0.607 . . . . 2.17 110.377 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.29 -26.44 2.77 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.814 1.676 . . . . 2.44 112.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -133.3 104.47 6.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.88 -0.6 . . . . 3.85 110.382 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -59.28 145.39 43.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.922 -0.581 . . . . 3.72 110.523 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.43 -178.67 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.228 0.537 . . . . 1.66 110.914 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.1 t -127.65 156.99 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.428 -0.805 . . . . 1.54 109.998 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG22 HD11 ' A' ' 40' ' ' ILE . 29.8 mm -124.02 142.43 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 2.16 109.398 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 30.6 m-85 -120.02 147.17 45.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.351 0.596 . . . . 1.49 110.888 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -124.8 132.03 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.256 -0.884 . . . . 3.38 109.917 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -99.37 -163.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 2.04 109.889 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -96.31 27.89 3.53 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.457 -0.338 . . . . 3.6 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -121.68 18.91 11.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.346 -0.388 . . . . 3.0 111.066 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.5 32.24 21.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.453 . . . . 2.86 110.632 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -126.44 150.46 48.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 3.77 110.548 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.8 148.47 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.68 -0.691 . . . . 2.28 110.365 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.7 mm -135.78 142.88 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 2.53 110.21 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.8 m -77.43 149.5 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 1.82 110.326 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -155.84 138.14 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.676 . . . . 1.47 110.606 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -93.0 154.18 41.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 2.22 110.211 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.05 5.85 5.7 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 121.819 1.679 . . . . 1.21 113.657 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -103.42 14.38 31.53 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.718 -0.393 . . . . 3.76 111.287 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mmtt -100.53 154.22 18.73 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.051 0.453 . . . . 2.7 110.291 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -74.48 -34.04 63.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.936 -0.574 . . . . 4.13 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CE2' HG22 ' A' ' 58' ' ' VAL . 66.0 p-90 -83.86 -26.48 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.478 -0.489 . . . . 1.41 110.378 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 57' ' ' TRP . 60.0 t -78.41 -43.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.079 0 N-CA-C 109.699 -0.482 . . . . 1.42 109.699 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -63.49 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 2.72 109.737 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -36.55 64.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.652 -0.704 . . . . 1.87 109.273 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.327 -0.851 . . . . 1.21 109.901 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.96 -47.02 84.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.73 . . . . 2.25 110.225 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -65.66 -35.87 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 3.17 109.763 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CD2' HD21 ' A' ' 20' ' ' LEU . 53.3 t80 -64.57 -48.21 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.311 -0.859 . . . . 1.93 109.862 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 77.2 mt -70.56 -42.29 71.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.341 0.591 . . . . 1.83 109.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.14 -22.67 67.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.583 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.43 -40.4 81.21 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.415 -0.357 . . . . 3.38 111.607 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -30.21 70.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.266 -0.574 . . . . 4.52 110.936 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -59.47 132.13 88.26 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 116.019 -0.537 . . . . 3.01 110.598 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.01 -166.05 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 121.779 1.653 . . . . 4.86 112.57 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 166.64 4.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.9 -0.591 . . . . 5.56 110.296 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.14 105.77 1.67 Allowed 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 121.755 1.637 . . . . 8.11 112.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -80.97 139.75 49.79 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.762 -0.654 . . . . 12.09 110.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--N 1.346 0.434 0 C-N-CA 121.658 1.572 . . . . 11.26 112.556 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.547 -1.421 . . . . 13.84 109.547 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.16 165.96 16.7 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.796 1.664 . . . . 13.34 112.542 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.57 -70.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.755 -0.657 . . . . 10.68 110.401 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -74.27 -172.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 8.48 110.426 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' N ' ' HD3' ' A' ' 6' ' ' PRO . 13.7 p 41.3 53.86 7.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 115.618 -0.719 . . . . 6.62 112.384 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 5' ' ' VAL . 39.7 Cg_endo -77.27 -58.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.477 0.521 0 C-N-CA 121.517 1.478 . . . . 5.86 112.684 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -135.68 32.32 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 5.03 110.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -94.42 177.1 6.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 4.32 110.281 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.5 m -80.01 177.33 9.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 2.4 109.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 88.77 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 2.06 110.344 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.2 164.52 24.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 3.02 110.434 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 60.83 74.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.838 -0.619 . . . . 3.69 110.434 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.1 mt -64.49 140.26 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.656 -0.702 . . . . 1.94 110.401 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 136.47 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.767 -0.651 . . . . 1.93 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -97.55 -33.87 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 3.36 110.227 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -77.46 170.18 17.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.709 -0.678 . . . . 4.77 110.196 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mtmt -100.1 126.99 46.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 3.52 110.506 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.6 mt -89.92 139.94 27.61 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.728 -0.669 . . . . 1.78 109.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -77.92 158.84 31.06 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.467 1.445 . . . . 1.73 112.921 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD21 ' CD2' ' A' ' 64' ' ' TYR . 49.3 mt -80.45 -40.19 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.402 -0.817 . . . . 1.72 111.096 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.44 -30.75 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 2.62 110.915 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -90.36 -12.61 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 4.6 111.424 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.12 147.49 40.5 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.434 0.635 . . . . 1.66 111.077 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -117.87 -40.51 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.167 -0.924 . . . . 3.03 110.012 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.1 p -172.28 -171.2 0.8 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 2.25 109.942 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -153.32 153.97 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 2.53 110.639 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 101.42 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 4.06 110.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -71.87 157.47 37.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.619 . . . . 3.03 110.243 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mt -129.17 132.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.17 110.324 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -171.7 35.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.57 -0.741 . . . . 2.73 110.126 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 t -66.1 -50.67 63.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 3.81 110.553 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.4 -28.44 3.44 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.997 -0.841 . . . . 2.97 110.997 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.69 -32.5 71.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.072 0.463 . . . . 5.7 110.488 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.57 156.98 87.48 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.905 -0.589 . . . . 2.17 110.366 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.4 -27.02 2.97 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.778 1.652 . . . . 2.44 112.688 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 127.4 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 3.85 110.618 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.19 120.65 17.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.741 -0.663 . . . . 3.72 110.229 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.22 -178.91 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 1.66 110.702 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.23 158.59 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 1.54 110.186 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.6 mt -127.04 131.29 71.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.454 -0.794 . . . . 2.16 109.598 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -111.89 149.58 31.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.258 0.552 . . . . 1.49 111.064 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -125.56 138.78 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 3.38 109.631 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -103.85 -172.29 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 2.04 110.392 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -3.55 49.68 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.942 -0.572 . . . . 3.6 111.614 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -94.31 19.25 9.73 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.705 -0.398 . . . . 3.0 111.267 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.73 32.47 22.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.021 0.439 . . . . 2.86 110.866 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -121.57 147.23 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.983 -0.553 . . . . 3.77 110.496 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -112.91 155.12 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 2.28 110.468 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.481 HG22 HD11 ' A' ' 49' ' ' ILE . 54.2 mt -142.09 159.57 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.816 -0.629 . . . . 2.53 110.382 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.6 m -91.91 139.75 30.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.65 . . . . 1.82 110.317 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.15 144.37 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 1.47 110.706 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -89.97 144.97 32.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.795 -0.639 . . . . 2.22 109.865 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.23 0.97 9.58 Favored 'Trans proline' 0 N--CA 1.477 0.51 0 C-N-CA 121.505 1.47 . . . . 1.21 113.55 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 24.11 13.42 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.641 -0.424 . . . . 3.76 110.838 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -100.41 169.61 8.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.05 0.452 . . . . 2.7 110.46 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -83.31 -47.66 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.578 . . . . 4.13 110.767 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 68.2 p-90 -74.75 -27.45 60.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 1.41 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG23 ' CZ3' ' A' ' 57' ' ' TRP . 47.8 t -75.31 -41.55 43.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 109.245 -0.65 . . . . 1.42 109.245 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.23 -47.01 86.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.636 -0.711 . . . . 2.72 109.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -32.83 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.453 -0.794 . . . . 1.87 109.19 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -65.71 -52.81 48.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.438 -0.801 . . . . 1.21 110.474 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 ptm -63.27 -39.76 95.5 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.403 -0.519 . . . . 2.25 110.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -68.79 -36.23 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.431 0.634 . . . . 3.17 109.552 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CD2' HD21 ' A' ' 20' ' ' LEU . 28.3 t80 -63.0 -52.63 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.184 -0.917 . . . . 1.93 109.683 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 26' ' ' TYR . 40.9 mt -65.59 -42.86 91.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 1.83 110.113 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.54 -33.05 74.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 1.95 110.223 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.35 -48.24 23.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.802 -0.635 . . . . 3.38 110.546 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -33.54 76.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.592 -0.731 . . . . 4.52 110.479 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -84.87 150.34 55.57 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.858 -0.61 . . . . 3.01 110.481 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.48 57.35 6.09 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 121.884 1.723 . . . . 4.86 112.534 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.9 p 51.07 87.93 0.12 Allowed Pre-proline 0 N--CA 1.469 0.507 0 CA-C-N 115.767 -0.652 . . . . 5.56 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.73 164.83 18.18 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 121.813 1.675 . . . . 8.11 112.598 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.74 165.29 54.51 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.781 -0.645 . . . . 12.09 110.487 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.402 0 C-N-CA 121.885 1.723 . . . . 11.26 112.583 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.454 -1.458 . . . . 13.84 109.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 -174.11 2.01 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 121.824 1.683 . . . . 13.34 112.634 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.74 -178.9 6.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 10.68 110.388 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -110.81 -71.04 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.633 . . . . 8.48 110.459 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.468 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.7 t -86.6 -45.27 0.56 Allowed Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.842 -0.617 . . . . 6.62 111.607 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.1 Cg_endo -79.82 145.86 18.22 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 121.277 1.318 . . . . 5.86 112.595 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.28 -61.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 5.03 110.477 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -136.28 -64.71 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 4.32 110.408 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.84 134.93 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 2.4 110.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.92 124.2 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 2.06 110.418 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -114.64 -39.13 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 3.02 110.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -87.65 88.51 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 3.69 110.551 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.39 139.86 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.859 -0.61 . . . . 1.94 110.359 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 138.48 49.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 1.93 110.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -99.6 -33.59 10.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.85 -0.614 . . . . 3.36 110.33 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -77.24 139.15 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.666 -0.697 . . . . 4.77 110.247 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 20.2 mttt -72.67 130.56 40.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 3.52 110.534 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.82 139.93 27.77 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.647 -0.706 . . . . 1.78 109.891 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -76.87 157.78 34.89 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.311 1.341 . . . . 1.73 112.943 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 49.5 mt -80.52 -46.67 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 1.72 111.224 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.13 -28.95 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.634 . . . . 2.62 111.351 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.92 -12.7 38.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 4.6 111.544 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.9 145.32 40.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.264 0.554 . . . . 1.66 111.079 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -117.0 -40.59 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.383 -0.826 . . . . 3.03 110.211 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 p -179.35 158.78 0.88 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.831 -0.622 . . . . 2.25 109.952 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 19.2 p90 -120.04 161.54 20.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.152 0.501 . . . . 2.53 110.911 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -140.95 93.81 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 4.06 110.249 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -76.36 147.6 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 3.03 110.529 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.4 mt -118.13 130.53 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.674 -0.694 . . . . 2.17 110.297 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -164.91 32.43 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.435 -0.802 . . . . 2.73 110.225 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -71.91 -60.81 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.833 -0.621 . . . . 3.81 110.765 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.99 -22.37 0.99 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.322 -0.711 . . . . 2.97 111.322 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -69.23 -31.14 69.5 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.942 0.401 . . . . 5.7 110.484 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -82.41 151.37 65.51 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.494 . . . . 2.17 110.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.08 -25.95 3.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 121.85 1.7 . . . . 2.44 112.808 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -127.23 135.75 51.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 3.85 110.607 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -85.63 95.14 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.821 -0.627 . . . . 3.72 110.182 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 -177.75 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 1.66 110.52 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -125.2 158.1 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.788 -0.642 . . . . 1.54 110.405 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.9 mt -128.88 130.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 2.16 109.718 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 26' ' ' TYR . 34.2 m-85 -109.53 147.48 32.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 1.49 110.751 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -125.21 127.98 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 3.38 109.861 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -89.88 -176.62 4.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.659 -0.7 . . . . 2.04 110.373 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.96 -0.18 34.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.986 -0.552 . . . . 3.6 111.708 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.51 19.96 9.05 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.691 -0.404 . . . . 3.0 111.228 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.92 36.61 21.75 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 2.86 110.736 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -126.22 157.86 37.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 3.77 110.465 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.14 154.44 37.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.867 -0.606 . . . . 2.28 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 49' ' ' ILE . 52.4 mt -142.85 159.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 2.53 110.352 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -93.9 140.58 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.82 110.319 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.8 154.41 43.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.47 110.91 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.91 149.29 36.69 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.549 -0.75 . . . . 2.22 109.798 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -80.72 4.85 6.58 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 121.599 1.532 . . . . 1.21 113.656 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -110.32 19.15 19.15 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.609 -0.436 . . . . 3.76 111.107 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -100.74 155.53 17.85 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.073 0.463 . . . . 2.7 110.372 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -76.01 -31.95 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 4.13 110.69 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.431 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 68.1 p-90 -84.46 -27.15 27.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 1.41 110.496 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 98.8 t -74.59 -44.15 47.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.283 -0.636 . . . . 1.42 109.283 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.04 -47.68 85.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 2.72 109.714 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -33.37 75.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.371 -0.831 . . . . 1.87 109.327 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.69 -52.94 47.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.572 -0.74 . . . . 1.21 110.132 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.417 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 19.7 ttp -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.813 -0.63 . . . . 2.25 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -41.87 74.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 3.17 109.917 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 56.4 t80 -62.09 -39.94 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.334 -0.848 . . . . 1.93 109.884 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.0 mt -74.43 -38.01 63.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.411 0.624 . . . . 1.83 109.935 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.74 -34.45 77.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.049 -0.978 . . . . 1.95 110.93 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.61 -5.33 54.81 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.418 0.525 . . . . 3.38 112.418 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -45.81 -29.84 1.47 Allowed 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.076 0.465 . . . . 4.52 111.645 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -58.24 109.9 2.17 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.753 -0.658 . . . . 3.01 110.439 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -83.55 -64.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.62 1.547 . . . . 4.86 113.043 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 92.3 49.17 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 5.56 110.566 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.24 163.58 19.75 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 121.748 1.632 . . . . 8.11 112.523 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -100.63 159.26 30.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.778 -0.646 . . . . 12.09 110.475 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--O 1.22 -0.422 0 C-N-CA 121.831 1.687 . . . . 11.26 112.637 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.563 -1.415 . . . . 13.84 109.563 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.11 -28.46 1.98 Allowed 'Trans proline' 0 N--CA 1.475 0.419 0 C-N-CA 121.886 1.724 . . . . 13.34 112.58 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.57 141.36 58.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 10.68 110.444 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -140.03 -173.4 3.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.841 -0.618 . . . . 8.48 110.458 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.41 139.72 97.43 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.826 -0.625 . . . . 6.62 110.253 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -82.56 -64.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.668 1.579 . . . . 5.86 112.744 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -163.51 155.88 17.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 5.03 110.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.27 153.51 36.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 4.32 110.448 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 32.3 m -79.81 -170.39 2.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 2.4 109.968 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.71 -71.39 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 2.06 110.461 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 35.0 m-85 60.81 30.86 19.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.835 -0.62 . . . . 3.02 110.697 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -174.89 83.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 3.69 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -67.92 146.14 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 1.94 110.423 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.5 140.04 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 1.93 110.463 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.92 -37.03 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 3.36 110.223 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -75.12 115.75 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 4.77 110.153 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -59.08 132.7 54.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 3.52 110.846 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.87 139.86 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.749 -0.659 . . . . 1.78 109.999 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -78.18 158.67 30.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.472 1.448 . . . . 1.73 112.961 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 32.1 mt -80.63 -42.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.311 -0.859 . . . . 1.72 111.128 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -58.68 -29.36 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 2.62 111.097 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -93.9 -10.2 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 4.6 111.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.87 145.84 46.61 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.339 0.59 . . . . 1.66 111.031 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -116.85 -42.0 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.359 -0.837 . . . . 3.03 109.997 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p 179.76 159.02 0.73 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.715 -0.675 . . . . 2.25 110.057 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 5.7 p90 -122.01 160.95 23.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.065 0.46 . . . . 2.53 110.64 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -138.58 112.46 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.929 -0.578 . . . . 4.06 110.563 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -93.8 146.82 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.737 -0.665 . . . . 3.03 110.29 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.74 136.31 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.618 -0.719 . . . . 2.17 110.218 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -157.98 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.73 110.605 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -80.15 -172.58 3.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 3.81 110.376 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.88 43.92 1.98 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.656 -0.978 . . . . 2.97 110.656 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -121.03 -65.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.147 0.499 . . . . 5.7 110.509 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.0 150.13 94.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.691 -0.686 . . . . 2.17 110.419 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -82.87 -30.06 1.1 Allowed 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 121.872 1.714 . . . . 2.44 112.664 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -120.9 101.39 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 3.85 110.423 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -61.6 108.02 0.9 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 3.72 110.376 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.55 -178.44 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 1.66 110.606 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -121.41 158.55 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 1.54 110.206 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.0 mp -134.77 130.29 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.342 -0.845 . . . . 2.16 109.708 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 55.5 m-85 -109.04 148.66 30.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.316 0.579 . . . . 1.49 111.187 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -121.15 140.75 51.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.297 -0.865 . . . . 3.38 109.657 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -107.81 -167.5 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.466 -0.788 . . . . 2.04 110.1 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.02 26.39 4.71 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.38 -0.373 . . . . 3.6 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.28 19.99 12.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.333 -0.394 . . . . 3.0 110.92 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 34.14 20.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.113 0.482 . . . . 2.86 110.654 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -128.41 150.19 50.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 3.77 110.534 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.47 145.37 48.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.174 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 4.4 mp -136.73 158.56 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 2.53 109.993 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.3 m -95.02 149.91 20.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.253 -0.885 . . . . 1.82 110.388 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -144.87 156.98 44.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.669 -0.696 . . . . 1.47 110.808 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.67 148.09 35.01 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.643 -0.708 . . . . 2.22 109.879 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.02 3.56 7.5 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 121.627 1.551 . . . . 1.21 113.626 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -110.25 19.09 19.25 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.657 -0.417 . . . . 3.76 111.095 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -100.7 161.88 13.3 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 2.7 110.485 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -81.0 -43.02 20.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.62 . . . . 4.13 110.65 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.425 ' CE2' HG22 ' A' ' 58' ' ' VAL . 65.7 p-90 -73.64 -28.96 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 1.41 110.245 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG22 ' CE2' ' A' ' 57' ' ' TRP . 87.0 t -73.68 -41.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.229 -0.656 . . . . 1.42 109.229 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.02 -46.4 89.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 2.72 109.67 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 1.87 109.229 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.5 -54.52 31.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.321 -0.854 . . . . 1.21 110.299 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.3 ptm -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.03 -0.532 . . . . 2.25 110.268 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -66.7 -37.23 84.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.356 0.598 . . . . 3.17 109.843 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 37.1 t80 -63.6 -51.71 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.854 . . . . 1.93 109.782 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.68 -40.21 80.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 1.83 109.857 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.33 -29.63 70.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.269 -0.878 . . . . 1.95 110.384 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.97 -31.37 71.71 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.058 0.456 . . . . 3.38 110.385 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -84.72 -66.57 0.88 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.944 -0.571 . . . . 4.52 110.618 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.15 150.58 43.56 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.777 -0.647 . . . . 3.01 110.502 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.5 122.33 4.02 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.864 1.709 . . . . 4.86 112.743 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 t -178.86 74.27 0.21 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.724 -0.671 . . . . 5.56 110.217 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.65 -167.91 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 121.951 1.767 . . . . 8.11 112.738 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 174.82 -53.02 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.732 -0.667 . . . . 12.09 110.502 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--N 1.347 0.46 0 C-N-CA 121.607 1.538 . . . . 11.26 112.548 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.586 -1.406 . . . . 13.84 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.23 -170.3 0.92 Allowed 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 121.956 1.771 . . . . 13.34 112.571 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.28 -63.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.829 -0.623 . . . . 10.68 110.419 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.95 125.91 47.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.771 -0.649 . . . . 8.48 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.4 m -113.55 85.82 9.54 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.869 -0.605 . . . . 6.62 110.547 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.15 93.55 1.0 Allowed 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 121.776 1.651 . . . . 5.86 112.408 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.49 122.56 16.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.821 -0.627 . . . . 5.03 110.527 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -163.07 136.45 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.649 -0.705 . . . . 4.32 110.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -103.61 157.02 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.973 -0.558 . . . . 2.4 110.526 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 t -94.99 152.63 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.643 -0.708 . . . . 2.06 110.474 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -123.32 -40.2 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.743 -0.662 . . . . 3.02 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -70.87 70.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.389 0.614 . . . . 3.69 110.21 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.75 163.17 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.94 110.601 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.91 139.86 30.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.76 -0.654 . . . . 1.93 110.524 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.33 -35.44 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 3.36 110.129 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -74.44 167.41 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 4.77 110.125 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -99.94 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.231 0.539 . . . . 3.52 110.553 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.3 mt -89.87 139.7 27.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.625 -0.716 . . . . 1.78 109.889 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -77.81 158.52 31.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.32 1.347 . . . . 1.73 112.813 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 26.6 mt -80.53 -40.06 26.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 1.72 110.888 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.66 -30.23 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.864 -0.607 . . . . 2.62 110.873 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ttp85 -92.49 -10.6 37.21 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.018 -0.537 . . . . 4.6 111.462 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.7 143.7 39.85 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.352 0.596 . . . . 1.66 111.001 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.45 -34.84 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.384 -0.826 . . . . 3.03 110.273 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 -173.2 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.876 -0.602 . . . . 2.25 109.766 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.3 p90 -151.85 153.38 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.109 0.48 . . . . 2.53 110.603 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 95.47 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 4.06 110.514 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -73.77 147.66 43.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 3.03 110.193 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.7 mt -130.64 136.34 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.704 -0.68 . . . . 2.17 110.354 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -171.92 35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.675 -0.693 . . . . 2.73 110.37 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -69.63 -172.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 3.81 110.503 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.3 -30.26 14.55 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.794 -0.922 . . . . 2.97 110.794 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.9 -36.0 75.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.058 0.456 . . . . 5.7 110.509 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 138.99 92.44 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.935 -0.575 . . . . 2.17 110.629 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -83.23 -33.7 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.638 1.559 . . . . 2.44 112.138 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -120.84 -172.7 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.42 -0.809 . . . . 3.85 110.097 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -129.67 137.67 50.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 3.72 110.359 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 -178.25 4.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.963 -0.562 . . . . 1.66 110.786 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -135.37 159.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.627 -0.715 . . . . 1.54 110.028 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.6 mt -130.09 130.11 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 2.16 109.951 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -109.56 150.85 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.277 0.561 . . . . 1.49 110.982 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -129.49 128.05 42.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 3.38 109.788 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -89.78 -166.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.465 -0.789 . . . . 2.04 110.113 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -97.34 28.66 3.57 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.212 -0.449 . . . . 3.6 110.684 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 20.89 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.194 -0.457 . . . . 3.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 36.34 19.84 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.049 0.452 . . . . 2.86 110.675 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -131.83 152.21 51.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 3.77 110.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -119.36 154.51 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.817 -0.629 . . . . 2.28 110.335 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.5 mt -141.77 159.53 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 2.53 110.308 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.7 m -98.71 141.58 31.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.82 110.207 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -139.79 150.15 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.832 -0.622 . . . . 1.47 110.817 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -90.06 143.22 29.53 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.606 -0.724 . . . . 2.22 109.731 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.63 -0.19 10.51 Favored 'Trans proline' 0 N--CA 1.475 0.428 0 C-N-CA 121.494 1.462 . . . . 1.21 113.458 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -110.28 24.28 13.19 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.705 -0.398 . . . . 3.76 110.811 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 175.13 5.81 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.998 0.428 . . . . 2.7 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -89.1 -50.44 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.931 -0.577 . . . . 4.13 110.711 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CZ3' HG23 ' A' ' 58' ' ' VAL . 68.4 p-90 -71.04 -29.0 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 1.41 110.14 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG23 ' CZ3' ' A' ' 57' ' ' TRP . 53.9 t -72.1 -40.13 66.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.167 -0.679 . . . . 1.42 109.167 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.36 -41.51 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 2.72 109.408 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -33.66 71.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.492 -0.776 . . . . 1.87 109.082 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -68.26 -54.04 20.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.424 -0.807 . . . . 1.21 110.338 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -63.91 -34.88 78.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.085 -0.507 . . . . 2.25 110.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -72.61 -36.79 68.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.503 0.668 . . . . 3.17 109.317 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 27.9 t80 -62.68 -52.32 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.042 -0.981 . . . . 1.93 109.717 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 26' ' ' TYR . 74.6 mt -64.59 -41.26 96.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.714 -0.675 . . . . 1.83 110.135 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -34.54 76.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.306 -0.861 . . . . 1.95 110.226 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.29 -2.24 58.48 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.859 -0.609 . . . . 3.38 111.653 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -90.92 20.77 4.58 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.906 -0.318 . . . . 4.52 111.731 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.7 151.2 84.65 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 120.719 -0.393 . . . . 3.01 110.371 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.88 121.81 3.73 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 121.806 1.67 . . . . 4.86 112.635 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 p -147.43 162.34 32.57 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.794 -0.639 . . . . 5.56 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.84 156.95 18.26 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 121.862 1.708 . . . . 8.11 112.569 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.83 134.11 95.79 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.823 -0.626 . . . . 12.09 110.305 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo . . . . . 0 C--N 1.347 0.492 0 C-N-CA 121.654 1.569 . . . . 11.26 112.624 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.551 -1.42 . . . . 13.84 109.551 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.33 112.06 2.18 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.891 1.727 . . . . 13.34 112.54 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.64 -179.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.626 . . . . 10.68 110.534 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 t 60.4 84.97 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.846 -0.616 . . . . 8.48 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 t -80.28 139.7 52.38 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.859 -0.609 . . . . 6.62 110.163 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -82.54 -69.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.677 1.585 . . . . 5.86 112.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.8 t -164.46 121.09 1.58 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.064 0.459 . . . . 5.03 110.539 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 m -163.75 117.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 4.32 110.568 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.2 m -107.7 -52.88 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 2.4 110.286 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 178.71 78.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.588 -0.733 . . . . 2.06 110.078 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.71 163.73 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.83 -0.623 . . . . 3.02 109.923 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.43 65.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.657 0.742 . . . . 3.69 109.158 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.3 mt -52.98 143.23 17.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.07 -0.968 . . . . 1.94 111.228 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 138.55 57.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.391 -0.822 . . . . 1.93 110.896 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -105.46 -33.94 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.672 -0.695 . . . . 3.36 110.09 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -79.89 127.43 32.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.703 -0.68 . . . . 4.77 110.133 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 15.1 mttm -61.49 130.48 46.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.593 . . . . 3.52 110.659 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 67.7 mt -89.9 140.08 27.66 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.574 -0.739 . . . . 1.78 109.831 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -76.74 155.88 35.17 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.423 1.416 . . . . 1.73 113.174 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 50.1 mt -80.83 -47.47 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.091 -0.959 . . . . 1.72 111.269 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -55.81 -29.01 59.06 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.772 -0.649 . . . . 2.62 111.353 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -89.85 -13.69 35.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 4.6 111.464 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -71.14 145.65 49.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.362 0.601 . . . . 1.66 111.095 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -117.32 -41.67 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.242 -0.89 . . . . 3.03 110.055 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 t 179.78 154.33 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.707 -0.678 . . . . 2.25 109.96 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -118.43 158.9 24.43 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.137 0.494 . . . . 2.53 110.672 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -135.32 110.35 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.641 . . . . 4.06 110.312 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -79.17 142.02 36.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 3.03 110.523 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -115.88 133.24 62.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.439 -0.801 . . . . 2.17 110.19 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -170.0 34.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.638 -0.71 . . . . 2.73 110.316 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -169.64 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.724 -0.671 . . . . 3.81 110.461 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.42 -15.42 40.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.917 -0.583 . . . . 2.97 111.708 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -96.78 26.85 4.26 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.733 -0.387 . . . . 5.7 111.158 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.23 130.41 23.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.691 -0.404 . . . . 2.17 109.939 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -84.84 -26.42 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 121.607 1.538 . . . . 2.44 112.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -125.48 98.98 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.792 -0.64 . . . . 3.85 110.546 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -66.25 154.02 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.903 -0.589 . . . . 3.72 110.367 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.15 -173.8 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 1.66 110.517 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.2 t -119.43 159.44 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.904 -0.589 . . . . 1.54 110.029 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.9 mt -127.32 142.37 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 2.16 109.642 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 41.5 m-85 -122.83 147.41 46.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.424 0.631 . . . . 1.49 111.098 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -124.3 140.69 52.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 3.38 109.699 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.3 p -108.04 -164.23 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.474 -0.785 . . . . 2.04 109.904 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -97.05 29.09 3.24 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.901 0.381 . . . . 3.6 110.789 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.79 18.84 9.43 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.24 -0.436 . . . . 3.0 111.045 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.01 19.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.207 0.527 . . . . 2.86 110.745 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -134.24 154.65 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 3.77 110.613 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -123.57 149.57 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.663 -0.699 . . . . 2.28 110.494 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.8 mm -136.71 151.6 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 2.53 110.181 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -88.6 143.27 27.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.911 -0.586 . . . . 1.82 110.248 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.32 160.2 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.75 -0.659 . . . . 1.47 110.564 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.86 155.03 48.23 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 2.22 109.904 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.29 4.21 6.79 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 121.71 1.607 . . . . 1.21 113.576 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 10.79 40.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.66 -0.416 . . . . 3.76 111.274 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.52 154.8 18.25 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.041 0.448 . . . . 2.7 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 4.13 110.603 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 67.8 p-90 -78.61 -27.22 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 1.41 110.482 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 94.4 t -74.43 -42.23 49.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.039 -0.726 . . . . 1.42 109.039 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.21 -48.14 81.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.735 . . . . 2.72 109.644 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -34.16 77.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.367 -0.833 . . . . 1.87 109.409 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -65.25 -52.75 52.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.393 -0.821 . . . . 1.21 110.132 179.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.86 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.809 -0.632 . . . . 2.25 110.257 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.8 -38.78 89.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 3.17 109.764 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 60.4 t80 -64.4 -51.48 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.281 -0.872 . . . . 1.93 109.581 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.7 -40.73 92.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 1.83 110.012 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.15 -38.15 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.299 -0.864 . . . . 1.95 110.232 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -28.67 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.761 -0.654 . . . . 3.38 110.522 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.28 -31.29 68.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.139 -0.482 . . . . 4.52 110.699 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -81.09 114.01 45.47 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.91 -0.586 . . . . 3.01 110.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.42 -167.02 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 121.596 1.531 . . . . 4.86 112.619 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.5 p -119.5 152.76 53.44 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.817 -0.628 . . . . 5.56 110.365 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.88 76.22 4.41 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 C-N-CA 121.86 1.706 . . . . 8.11 112.569 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -170.65 85.37 0.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.619 . . . . 12.09 110.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.22 -0.391 0 C-N-CA 121.869 1.713 . . . . 11.26 112.592 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.399 0 N-CA-C 109.501 -1.44 . . . . 13.84 109.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.06 139.64 10.83 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 121.811 1.674 . . . . 13.34 112.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.88 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 10.68 110.429 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.0 t -136.95 -67.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.801 -0.636 . . . . 8.48 110.374 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.1 p -105.88 140.22 21.0 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.879 -0.601 . . . . 6.62 109.992 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.49 -42.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 121.621 1.547 . . . . 5.86 112.599 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 m -99.33 141.04 32.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 5.03 110.494 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -132.38 -64.87 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 4.32 110.352 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.2 m -129.0 -170.48 2.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.678 . . . . 2.4 109.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.98 118.62 23.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 2.06 110.32 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -119.21 153.06 35.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 3.02 110.117 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.33 82.66 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.69 110.21 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.7 mt -61.06 140.26 57.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.94 110.559 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 145.08 56.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.679 -0.691 . . . . 1.93 110.439 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -100.19 -58.6 1.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 3.36 110.181 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -63.15 127.02 29.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.658 -0.701 . . . . 4.77 110.106 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.07 140.05 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 3.52 110.863 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.3 mt -89.81 139.7 27.75 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.547 -0.751 . . . . 1.78 109.702 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -74.65 156.48 44.56 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.294 1.329 . . . . 1.73 112.957 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 50.4 mt -80.46 -43.38 20.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.144 -0.935 . . . . 1.72 111.242 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -58.78 -29.5 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 2.62 111.013 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -89.77 -14.1 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 4.6 111.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -72.65 146.44 46.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.495 0.664 . . . . 1.66 111.281 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -120.71 -41.79 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.132 -0.94 . . . . 3.03 110.199 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.63 156.32 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.589 . . . . 2.25 109.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.43 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 18.5 p90 -119.97 171.04 8.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.171 0.51 . . . . 2.53 110.86 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.13 112.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.679 . . . . 4.06 110.255 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -87.16 149.73 24.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.886 -0.597 . . . . 3.03 110.534 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG22 HD11 ' A' ' 29' ' ' ILE . 55.7 mt -118.87 138.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.604 -0.726 . . . . 2.17 110.302 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.2 28.27 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.76 -0.655 . . . . 2.73 110.422 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -76.33 174.38 10.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.236 0.541 . . . . 3.81 110.675 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.88 -22.46 20.6 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.227 -0.749 . . . . 2.97 111.227 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -69.46 -30.19 68.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.847 0.356 . . . . 5.7 110.683 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.6 m -77.74 153.11 80.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.205 -0.452 . . . . 2.17 110.268 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.88 -23.24 3.89 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 121.931 1.754 . . . . 2.44 113.152 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.35 162.56 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.322 0.582 . . . . 3.85 111.053 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -101.13 116.84 33.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.338 -0.847 . . . . 3.72 110.035 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.11 -178.39 5.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.15 0.5 . . . . 1.66 110.951 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.2 t -125.13 158.85 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.561 -0.745 . . . . 1.54 110.261 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mp -127.19 130.89 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.497 -0.774 . . . . 2.16 109.417 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 37.4 m-85 -109.29 147.99 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.405 0.621 . . . . 1.49 110.739 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -126.98 130.58 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.859 . . . . 3.38 109.85 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.3 p -90.66 -166.41 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.67 . . . . 2.04 109.825 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -97.58 29.26 3.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 3.6 110.779 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -124.57 21.75 8.45 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.206 -0.452 . . . . 3.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.21 35.18 18.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.128 0.49 . . . . 2.86 110.556 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -125.66 151.13 46.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 3.77 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.03 152.52 38.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.889 -0.596 . . . . 2.28 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG22 HD11 ' A' ' 49' ' ' ILE . 56.0 mt -142.49 159.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.649 -0.705 . . . . 2.53 110.067 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.7 m -95.18 149.86 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 1.82 110.423 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.74 155.68 39.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.727 -0.67 . . . . 1.47 110.713 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -106.2 146.96 34.0 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.706 -0.679 . . . . 2.22 109.786 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -80.36 6.17 5.56 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 121.668 1.579 . . . . 1.21 113.586 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -109.59 17.21 21.58 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.69 -0.404 . . . . 3.76 111.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -100.58 163.03 12.53 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.061 0.458 . . . . 2.7 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -80.57 -39.57 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.858 -0.61 . . . . 4.13 110.589 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.426 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 67.1 p-90 -77.62 -27.65 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 1.41 110.559 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 99.7 t -75.89 -41.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.127 -0.694 . . . . 1.42 109.127 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -61.87 -47.54 84.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.72 109.696 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.4 80.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 1.87 109.322 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -63.83 -50.79 67.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.348 -0.842 . . . . 1.21 110.176 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.03 -44.16 97.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.802 -0.635 . . . . 2.25 110.453 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.359 0.6 . . . . 3.17 109.74 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 81.4 t80 -63.4 -49.72 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.24 -0.891 . . . . 1.93 109.652 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.87 -42.7 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.654 . . . . 1.83 109.966 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.77 -26.94 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.257 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -74.0 -9.95 59.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.009 -0.541 . . . . 3.38 112.06 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -90.36 21.22 3.97 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.142 -0.623 . . . . 4.52 111.866 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -57.54 148.29 56.31 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.906 -0.318 . . . . 3.01 110.648 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.49 122.91 3.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 121.813 1.675 . . . . 4.86 112.708 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -86.69 -51.84 0.44 Allowed Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.85 -0.614 . . . . 5.56 110.615 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.9 Cg_endo -82.65 127.88 5.11 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.691 1.594 . . . . 8.11 112.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt 60.11 84.42 0.2 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.815 -0.63 . . . . 12.09 110.574 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.865 1.71 . . . . 11.26 112.538 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.508 -1.437 . . . . 13.84 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.23 -48.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.475 0.391 0 C-N-CA 121.817 1.678 . . . . 13.34 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.19 32.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.68 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.15 51.78 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.437 0.637 . . . . 8.48 110.408 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.443 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -89.47 -48.08 0.4 Allowed Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 115.709 -0.678 . . . . 6.62 110.415 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.4 Cg_endo -83.06 169.25 13.09 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 121.445 1.43 . . . . 5.86 112.548 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -135.43 -62.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 5.03 110.466 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 145.1 25.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 4.32 110.402 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.1 m -91.52 -177.97 4.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 2.4 110.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.84 111.68 13.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.559 . . . . 2.06 110.205 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -105.14 156.42 18.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 3.02 110.24 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 61.21 81.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 3.69 110.421 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.8 mt -63.4 140.11 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 1.94 110.285 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 137.76 57.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.64 . . . . 1.93 110.529 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -34.7 10.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.912 -0.586 . . . . 3.36 109.973 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.58 147.51 41.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 4.77 110.209 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -83.75 126.73 33.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 3.52 110.562 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.6 mt -89.66 139.93 28.01 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.56 -0.746 . . . . 1.78 109.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -75.92 156.45 38.94 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.325 1.35 . . . . 1.73 112.939 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 73.1 mt -80.7 -38.32 29.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.187 -0.915 . . . . 1.72 111.171 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -58.95 -30.65 68.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 2.62 111.1 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -90.02 -12.4 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 4.6 111.52 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.49 147.22 42.1 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.479 0.657 . . . . 1.66 111.244 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -118.69 -40.39 2.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.205 -0.907 . . . . 3.03 110.303 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -175.72 160.91 2.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.829 -0.623 . . . . 2.25 109.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.434 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 11.4 p90 -127.31 163.21 24.46 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.478 -0.489 . . . . 2.53 110.839 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 107.57 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 4.06 110.385 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 -91.9 142.53 27.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.608 . . . . 3.03 110.415 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 HG23 HD11 ' A' ' 29' ' ' ILE . 54.7 mt -123.06 144.78 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 2.17 110.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.44 31.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 2.73 110.477 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -78.43 -172.29 2.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.928 -0.578 . . . . 3.81 110.549 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.94 37.75 3.66 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.759 -0.936 . . . . 2.97 110.759 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -118.82 -42.89 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 5.7 110.407 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -73.11 159.23 85.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 115.745 -0.661 . . . . 2.17 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.37 -26.59 3.22 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.797 1.665 . . . . 2.44 112.572 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.43 138.82 25.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 3.85 110.463 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.7 154.82 41.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.823 -0.626 . . . . 3.72 110.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.02 -177.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.579 . . . . 1.66 110.546 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.9 t -133.05 159.59 43.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 1.54 110.206 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mp -128.46 130.47 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.775 . . . . 2.16 109.661 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CE1' ' CB ' ' A' ' 26' ' ' TYR . 34.8 m-85 -109.24 149.07 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.381 0.61 . . . . 1.49 111.177 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -125.33 131.59 53.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.219 -0.9 . . . . 3.38 109.782 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 p -99.23 -165.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 2.04 109.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.67 29.51 3.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.929 0.395 . . . . 3.6 110.697 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.98 18.76 10.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.143 -0.48 . . . . 3.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.6 33.66 22.09 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.026 0.441 . . . . 2.86 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -132.06 146.05 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.061 -0.518 . . . . 3.77 110.488 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.84 156.41 23.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.635 . . . . 2.28 110.326 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.489 HG22 HD11 ' A' ' 49' ' ' ILE . 52.9 mt -141.84 159.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.8 -0.636 . . . . 2.53 110.26 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.9 m -91.51 144.74 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.47 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.75 148.11 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 1.47 110.564 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -96.35 146.94 32.19 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.742 -0.663 . . . . 2.22 109.81 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -80.29 4.67 6.62 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 121.585 1.524 . . . . 1.21 113.458 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -109.54 15.56 22.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.771 -0.372 . . . . 3.76 111.113 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.29 161.45 13.59 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.042 0.449 . . . . 2.7 110.085 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -72.96 -61.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 4.13 110.791 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CE2' HG22 ' A' ' 58' ' ' VAL . 59.5 p-90 -57.3 -30.92 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 1.41 110.611 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CE2' ' A' ' 57' ' ' TRP . 62.6 t -72.18 -37.84 60.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.814 -0.81 . . . . 1.42 108.814 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -66.12 -46.55 77.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.515 -0.766 . . . . 2.72 109.355 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.06 -32.23 72.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.428 -0.805 . . . . 1.87 109.138 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 7.4 m -64.69 -53.99 38.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.543 -0.753 . . . . 1.21 110.43 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 ptm -63.3 -41.35 98.94 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 2.25 110.383 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.92 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.299 0.571 . . . . 3.17 109.781 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 52.5 t80 -64.59 -52.87 55.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.375 -0.83 . . . . 1.93 109.588 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.2 mt -65.5 -39.79 92.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.545 -0.752 . . . . 1.83 110.006 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.429 -0.805 . . . . 1.95 110.045 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -89.52 12.74 15.71 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.757 -0.656 . . . . 3.38 111.617 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -58.95 -31.48 68.76 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.069 0.462 . . . . 4.52 110.826 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.8 p -59.51 161.4 10.83 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.847 -0.615 . . . . 3.01 110.602 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.69 -163.37 0.22 Allowed 'Trans proline' 0 N--CA 1.474 0.361 0 C-N-CA 121.854 1.703 . . . . 4.86 112.341 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -50.12 -50.22 70.91 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.263 -0.426 . . . . 5.56 111.718 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.0 Cg_endo -82.01 167.11 16.4 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.646 1.564 . . . . 8.11 112.602 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -100.24 147.4 33.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.841 -0.618 . . . . 12.09 110.316 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--N 1.346 0.396 0 C-N-CA 121.839 1.693 . . . . 11.26 112.484 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.52 -1.432 . . . . 13.84 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.92 169.29 14.92 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 121.881 1.721 . . . . 13.34 112.576 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.03 53.16 3.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.351 0.596 . . . . 10.68 110.405 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.1 p 55.62 172.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.618 -0.719 . . . . 8.48 110.926 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.53 140.75 94.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.781 -0.645 . . . . 6.62 110.052 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.59 -175.56 2.52 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 121.715 1.61 . . . . 5.86 112.583 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.31 174.86 7.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.82 -0.627 . . . . 5.03 110.309 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -91.19 12.71 19.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.81 -0.632 . . . . 4.32 111.444 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.3 m -109.25 174.97 5.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.458 . . . . 2.4 110.173 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -116.35 102.03 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 2.06 110.372 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -97.57 -33.25 11.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.718 -0.674 . . . . 3.02 110.457 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -90.13 76.7 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.78 -0.646 . . . . 3.69 110.429 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.0 mt -62.94 140.2 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 1.94 110.373 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.65 140.2 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 1.93 110.245 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -93.75 -55.91 3.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.895 -0.593 . . . . 3.36 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -63.31 170.61 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.709 -0.678 . . . . 4.77 110.026 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -98.12 139.24 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 3.52 110.506 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.6 mt -89.9 139.62 27.6 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 115.698 -0.683 . . . . 1.78 109.865 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -76.95 155.42 34.05 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 121.382 1.388 . . . . 1.73 112.92 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 47.4 mt -80.94 -44.58 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.228 -0.896 . . . . 1.72 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.87 -29.39 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 2.62 111.151 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.76 -12.46 31.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 4.6 111.241 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.41 140.86 52.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.203 0.525 . . . . 1.66 110.796 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.54 -36.82 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.483 -0.781 . . . . 3.03 110.149 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -176.41 -177.7 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.669 -0.696 . . . . 2.25 109.802 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.434 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 1.7 p90 -150.57 153.21 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.14 0.495 . . . . 2.53 110.706 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -134.01 119.82 19.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.684 -0.689 . . . . 4.06 110.573 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -101.12 147.98 25.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 3.03 110.33 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.91 144.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.716 -0.675 . . . . 2.17 110.388 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.4 m -163.83 31.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.73 110.447 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -80.8 -172.36 3.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.927 -0.579 . . . . 3.81 110.498 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -103.29 32.15 7.9 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.807 -0.917 . . . . 2.97 110.807 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.38 -37.5 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.105 0.478 . . . . 5.7 110.428 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 m -86.9 155.34 55.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 2.17 110.385 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.35 -27.84 2.62 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.861 1.708 . . . . 2.44 112.569 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.77 124.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 3.85 110.371 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -60.68 162.02 7.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.853 -0.612 . . . . 3.72 110.513 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 -177.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 1.66 110.513 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.05 158.66 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.758 -0.655 . . . . 1.54 110.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.8 mt -127.85 130.61 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.323 -0.853 . . . . 2.16 109.534 179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 61' ' ' SER . 38.9 m-85 -109.07 148.34 30.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.261 0.553 . . . . 1.49 110.866 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -122.7 138.49 54.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.471 -0.786 . . . . 3.38 109.751 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -104.01 -166.82 1.29 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.336 -0.847 . . . . 2.04 109.962 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.49 29.07 3.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 3.6 110.684 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 19.47 10.11 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.256 -0.429 . . . . 3.0 111.041 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 37.06 21.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.176 0.512 . . . . 2.86 110.662 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -130.68 152.29 50.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.77 110.581 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.56 146.94 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.71 -0.677 . . . . 2.28 110.241 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.2 mm -135.03 144.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 2.53 110.426 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.0 m -82.79 145.14 29.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.816 -0.629 . . . . 1.82 110.148 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.01 140.5 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.6 . . . . 1.47 110.703 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -91.74 150.48 40.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 2.22 110.071 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 10.15 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.526 0 C-N-CA 121.735 1.623 . . . . 1.21 113.741 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 13.77 22.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.716 -0.394 . . . . 3.76 111.411 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.72 152.31 20.62 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.479 -0.488 . . . . 2.7 110.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -72.54 -31.71 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.665 . . . . 4.13 110.998 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 68.2 p-90 -83.89 -27.89 28.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.436 -0.505 . . . . 1.41 110.257 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG22 ' CE2' ' A' ' 57' ' ' TRP . 57.3 t -75.07 -46.73 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.375 -0.602 . . . . 1.42 109.375 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -39.12 88.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.824 -0.625 . . . . 2.72 109.942 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -34.72 67.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.063 -0.717 . . . . 1.87 109.063 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.2 m -64.82 -51.77 60.36 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.32 -0.855 . . . . 1.21 110.205 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -63.51 -41.82 98.5 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 2.25 110.249 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -64.62 -36.02 82.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 3.17 109.801 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 42.9 t80 -62.83 -54.82 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.358 -0.837 . . . . 1.93 109.743 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.434 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 75.9 mt -64.8 -41.09 96.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.59 -0.732 . . . . 1.83 109.953 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.37 -34.7 77.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 1.95 110.019 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -90.21 12.42 18.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.723 -0.671 . . . . 3.38 111.469 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.18 21.91 4.09 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 121.0 -0.28 . . . . 4.52 111.628 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.404 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -60.71 -52.84 69.71 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.771 -0.372 . . . . 3.01 110.811 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 69' ' ' SER . 39.3 Cg_endo -80.19 -62.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 121.692 1.595 . . . . 4.86 112.985 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -144.63 148.22 39.03 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.928 -0.578 . . . . 5.56 110.46 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -82.27 84.17 1.89 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.78 1.653 . . . . 8.11 112.539 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -148.66 152.39 37.69 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.866 -0.607 . . . . 12.09 110.494 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.474 0.378 0 C-N-CA 121.845 1.696 . . . . 11.26 112.599 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.545 -1.422 . . . . 13.84 109.545 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.15 60.01 7.26 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 121.835 1.69 . . . . 13.34 112.531 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.43 -173.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.731 -0.668 . . . . 10.68 110.46 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.0 m -72.53 -70.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 8.48 110.443 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.48 112.81 8.59 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.885 -0.598 . . . . 6.62 110.152 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -82.41 -62.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 121.547 1.498 . . . . 5.86 112.731 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -163.91 174.43 11.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 5.03 110.575 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -114.65 -54.85 2.54 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.79 -0.641 . . . . 4.32 109.768 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 m -93.58 -170.39 2.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.102 -0.954 . . . . 2.4 109.695 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -163.52 143.69 8.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 2.06 110.848 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -116.39 -39.53 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 3.02 110.436 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.15 91.6 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.619 . . . . 3.69 110.478 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.14 140.61 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.94 110.497 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.92 146.1 55.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 1.93 110.589 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -107.43 -37.08 6.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.65 . . . . 3.36 110.296 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.17 129.07 34.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 4.77 110.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 1.2 pttp -61.45 138.66 58.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 3.52 110.653 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.9 mt -96.98 140.1 21.91 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.573 -0.739 . . . . 1.78 109.923 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -78.02 157.6 30.62 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.349 1.366 . . . . 1.73 112.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 32.8 mt -80.68 -42.91 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 1.72 111.132 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.4 -29.73 66.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 2.62 111.086 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -91.44 -12.82 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 4.6 111.369 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.8 145.54 44.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.346 0.593 . . . . 1.66 111.083 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.06 -41.27 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.03 110.15 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -169.89 -177.03 2.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.798 -0.637 . . . . 2.25 109.934 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.413 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.2 p90 -152.67 148.47 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.29 0.567 . . . . 2.53 110.809 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.88 108.96 14.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 4.06 110.177 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -80.53 145.01 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.404 0.621 . . . . 3.03 110.649 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 mm -104.67 -158.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.284 -0.871 . . . . 2.17 108.654 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.78 29.26 1.5 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.971 0.415 . . . . 2.73 110.347 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 t -75.96 -32.71 59.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 3.81 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.42 -31.2 2.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.774 -0.931 . . . . 2.97 110.774 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -32.64 61.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 5.7 110.89 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.74 149.16 63.35 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.059 -0.518 . . . . 2.17 110.482 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -83.52 -29.11 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.862 1.708 . . . . 2.44 112.822 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -113.91 174.46 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 3.85 110.784 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -108.74 140.07 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.611 -0.722 . . . . 3.72 110.123 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.25 -173.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.182 0.515 . . . . 1.66 110.978 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -144.46 159.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.474 -0.784 . . . . 1.54 109.592 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.1 mt -127.73 134.41 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 2.16 109.602 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -112.89 148.57 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.275 0.56 . . . . 1.49 110.955 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -123.53 138.52 54.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.392 -0.822 . . . . 3.38 109.853 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.8 p -101.64 -169.75 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.396 -0.82 . . . . 2.04 110.142 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -98.48 29.34 3.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 3.6 110.763 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.21 22.2 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 3.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 45.68 9.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.329 0.585 . . . . 2.86 110.606 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.59 152.27 45.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.757 -0.656 . . . . 3.77 110.45 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -122.47 152.28 40.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 2.28 110.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.447 HG22 HD11 ' A' ' 49' ' ' ILE . 53.7 mt -137.93 159.76 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 2.53 110.223 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.1 m -98.18 144.51 27.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 1.82 110.413 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.03 153.03 39.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 1.47 110.814 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -102.34 145.83 31.22 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.603 -0.726 . . . . 2.22 109.75 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.44 1.67 8.54 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 121.512 1.474 . . . . 1.21 113.701 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -100.82 13.49 34.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.621 -0.432 . . . . 3.76 111.149 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -100.68 156.63 17.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.113 0.482 . . . . 2.7 110.387 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.26 -37.55 60.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.87 -0.604 . . . . 4.13 110.919 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.419 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 65.8 p-90 -79.09 -29.15 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 1.41 110.45 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 58.5 t -74.28 -41.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.443 -0.577 . . . . 1.42 109.443 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -63.04 -46.26 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 2.72 109.711 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -35.69 79.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.539 -0.755 . . . . 1.87 109.341 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -65.06 -50.62 65.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.341 -0.845 . . . . 1.21 110.042 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.3 ttm -62.92 -45.04 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 2.25 110.098 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -64.47 -34.58 78.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.809 -0.632 . . . . 3.17 109.708 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 36.5 t80 -62.92 -53.81 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 1.93 109.978 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 26' ' ' TYR . 51.1 mt -65.15 -40.57 94.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.445 0.64 . . . . 1.83 110.03 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.81 -31.65 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.14 -0.936 . . . . 1.95 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -89.5 -36.55 15.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.034 -0.53 . . . . 3.38 110.505 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -92.0 25.08 2.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.745 -0.661 . . . . 4.52 111.462 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -54.4 164.21 1.12 Allowed Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 121.147 -0.221 . . . . 3.01 111.005 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.8 -178.43 4.17 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 121.93 1.754 . . . . 4.86 112.703 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.7 p -69.85 152.75 95.93 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.731 -0.668 . . . . 5.56 110.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.39 -56.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.475 0.385 0 C-N-CA 121.961 1.774 . . . . 8.11 112.67 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 90.07 5.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.9 -0.591 . . . . 12.09 110.443 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.757 1.638 . . . . 11.26 112.592 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.561 -1.416 . . . . 13.84 109.561 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -81.91 -61.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 121.89 1.726 . . . . 13.34 112.74 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.41 -70.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 10.68 110.401 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.55 -73.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 8.48 110.48 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.3 m -115.13 83.24 9.69 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.017 -0.538 . . . . 6.62 110.566 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -82.57 55.25 5.23 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.854 1.703 . . . . 5.86 112.557 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -163.14 174.03 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 5.03 110.451 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.61 -177.68 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 4.32 110.502 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -80.16 154.2 28.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.664 -0.698 . . . . 2.4 110.415 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.97 161.61 29.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 2.06 110.787 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.14 -46.92 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.568 -0.742 . . . . 3.02 110.338 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.06 86.04 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 3.69 110.319 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.57 140.93 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.721 -0.672 . . . . 1.94 110.411 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 142.94 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 1.93 110.655 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -105.18 -35.89 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 3.36 110.212 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -82.59 129.46 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.677 . . . . 4.77 110.113 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 6.4 pttt -61.2 142.16 56.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 3.52 110.858 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.1 mt -97.12 140.06 21.86 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.546 -0.752 . . . . 1.78 109.847 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -77.83 155.61 30.76 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.346 1.364 . . . . 1.73 112.94 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD21 ' CD2' ' A' ' 64' ' ' TYR . 40.5 mt -80.85 -40.66 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.249 -0.887 . . . . 1.72 110.974 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -58.74 -30.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.62 111.03 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -94.33 -10.16 33.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.527 . . . . 4.6 111.335 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.43 142.09 44.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.35 0.595 . . . . 1.66 110.994 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.46 -40.77 3.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.371 -0.831 . . . . 3.03 110.056 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 t -178.79 163.1 1.39 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.73 -0.668 . . . . 2.25 109.767 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -125.92 153.23 44.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.265 0.555 . . . . 2.53 111.062 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -127.56 107.36 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 4.06 110.138 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -66.14 148.84 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 3.03 110.744 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.0 mm -100.48 136.71 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.378 -0.828 . . . . 2.17 109.936 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t 174.8 62.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.589 -0.732 . . . . 2.73 109.862 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -59.99 -39.62 86.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 3.81 110.849 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.22 -60.39 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.595 -1.002 . . . . 2.97 110.595 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 32.68 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.507 . . . . 5.7 110.014 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.02 166.91 30.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 2.17 110.582 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -79.02 -32.52 1.82 Allowed 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 121.748 1.632 . . . . 2.44 112.443 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.37 135.77 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.789 -0.641 . . . . 3.85 110.711 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -68.57 172.15 6.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.817 -0.628 . . . . 3.72 110.059 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.52 -166.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 1.66 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -141.22 158.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.237 0.541 . . . . 1.54 110.06 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.4 mm -128.3 146.53 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.536 -0.756 . . . . 2.16 109.566 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 41.7 m-85 -126.58 148.44 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.375 0.607 . . . . 1.49 111.321 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -125.04 131.9 53.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.165 -0.925 . . . . 3.38 109.612 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 p -99.31 -163.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.81 -0.632 . . . . 2.04 110.045 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -93.18 21.27 6.07 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.499 -0.319 . . . . 3.6 111.311 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.56 18.96 14.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.925 -0.31 . . . . 3.0 111.027 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.42 32.79 22.02 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.982 0.42 . . . . 2.86 110.701 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -123.05 148.28 45.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 3.77 110.583 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.55 146.38 39.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.76 -0.655 . . . . 2.28 110.368 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -132.28 155.81 41.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 2.53 110.422 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.0 m -94.08 140.67 29.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.3 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.97 148.87 32.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 1.47 110.808 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -95.95 152.78 39.19 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.806 -0.634 . . . . 2.22 110.204 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.02 5.4 6.25 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 121.774 1.649 . . . . 1.21 113.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.29 19.03 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.563 -0.455 . . . . 3.76 111.25 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.7 mmtm -100.67 151.03 22.13 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.124 0.488 . . . . 2.7 110.305 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -72.73 -34.01 66.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.829 -0.623 . . . . 4.13 111.036 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.429 ' CD2' ' HA ' ' A' ' 17' ' ' LYS . 67.5 p-90 -84.1 -28.32 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.405 -0.518 . . . . 1.41 110.413 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' A' ' 57' ' ' TRP . 88.8 t -73.05 -45.09 55.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.26 -0.644 . . . . 1.42 109.26 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.25 -46.8 88.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.717 -0.674 . . . . 2.72 109.782 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -33.4 75.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.447 -0.797 . . . . 1.87 109.254 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -65.19 -54.83 23.63 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.406 -0.816 . . . . 1.21 110.312 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.4 ptp -61.36 -38.71 87.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 2.25 110.395 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.5 -37.28 84.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.282 0.563 . . . . 3.17 109.656 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CD2' HD21 ' A' ' 20' ' ' LEU . 37.0 t80 -62.96 -54.75 33.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.319 -0.855 . . . . 1.93 109.628 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.13 -40.71 94.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.76 . . . . 1.83 109.837 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.21 -29.01 68.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.851 . . . . 1.95 110.056 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -36.2 68.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.082 -0.508 . . . . 3.38 110.44 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -33.72 75.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.626 . . . . 4.52 109.988 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' CB ' ' CD ' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -75.78 179.12 1.54 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.555 -0.748 . . . . 3.01 110.059 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 39.7 Cg_endo -81.04 7.89 4.67 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 121.624 1.549 . . . . 4.86 113.636 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.43 91.27 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.978 -0.289 . . . . 5.56 110.711 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.87 -25.02 3.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 121.852 1.701 . . . . 8.11 112.717 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 7.3 mmtt 177.78 -55.52 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.93 -0.577 . . . . 12.09 110.434 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.405 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.9 Cg_endo . . . . . 0 C--N 1.347 0.492 0 C-N-CA 121.45 1.434 . . . . 11.26 112.54 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.513 -1.435 . . . . 13.84 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -82.07 -39.51 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 121.871 1.714 . . . . 13.34 112.563 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.3 178.33 4.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.68 110.331 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -97.26 -37.65 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 8.48 110.486 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.5 m -62.69 153.78 77.14 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.731 -0.668 . . . . 6.62 110.458 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -81.35 -63.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.827 1.684 . . . . 5.86 112.724 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.5 m 56.85 97.95 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.993 -0.549 . . . . 5.03 110.674 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.3 m -154.97 147.07 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 4.32 110.461 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.02 -176.99 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 2.4 110.401 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 t -78.52 138.72 38.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.873 -0.603 . . . . 2.06 110.765 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -124.06 31.91 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 3.02 110.122 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -159.01 82.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.759 -0.655 . . . . 3.69 110.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.98 140.48 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.676 . . . . 1.94 110.479 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.79 150.85 46.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 1.93 110.561 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.9 -48.55 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 3.36 110.384 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 121.33 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 4.77 110.148 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.13 138.15 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 3.52 110.722 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -89.94 139.98 27.59 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 115.527 -0.761 . . . . 1.78 109.892 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -76.39 158.03 36.81 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 121.335 1.357 . . . . 1.73 112.799 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 47.3 mt -80.45 -43.76 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.72 111.192 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.35 -29.49 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 2.62 111.131 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -92.63 -12.44 31.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 4.6 111.449 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.82 146.41 49.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.502 0.667 . . . . 1.66 111.205 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -120.02 -42.1 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.087 -0.961 . . . . 3.03 110.191 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -178.93 158.88 0.98 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.796 -0.638 . . . . 2.25 109.864 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -122.14 158.49 29.2 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.554 -0.458 . . . . 2.53 110.709 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -136.42 109.22 7.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 4.06 110.449 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -87.02 149.69 24.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 3.03 110.546 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -116.07 153.98 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.68 -0.691 . . . . 2.17 110.205 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.8 m -164.01 34.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.879 -0.6 . . . . 2.73 110.41 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 137.88 58.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.81 110.583 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.63 -35.03 91.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 2.97 110.76 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -72.4 -29.16 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 5.7 110.65 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.0 148.7 69.55 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.127 -0.488 . . . . 2.17 110.511 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.9 -29.98 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.826 1.684 . . . . 2.44 112.55 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -147.05 144.31 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 3.85 110.39 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.74 143.06 27.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 3.72 110.355 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.57 -177.35 6.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.66 110.386 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.58 158.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.376 0.608 . . . . 1.54 110.594 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.72 130.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.247 -0.888 . . . . 2.16 109.481 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -108.37 147.83 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.413 0.625 . . . . 1.49 111.098 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -126.25 139.31 53.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.255 -0.884 . . . . 3.38 109.712 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -98.77 -166.34 1.35 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.316 -0.856 . . . . 2.04 109.865 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -98.23 30.17 3.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.965 0.412 . . . . 3.6 110.705 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -125.17 21.57 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.049 -0.523 . . . . 3.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.07 36.94 18.19 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.12 0.486 . . . . 2.86 110.603 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -128.6 151.16 49.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.595 . . . . 3.77 110.45 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -124.69 148.14 48.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.368 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.5 mm -135.76 155.51 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 2.53 110.206 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.0 m -87.06 153.83 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 1.82 110.317 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.0 152.58 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 1.47 110.573 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.99 157.26 38.32 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.691 -0.686 . . . . 2.22 109.829 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.55 7.39 5.03 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 121.732 1.622 . . . . 1.21 113.6 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -105.02 10.89 33.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.716 -0.394 . . . . 3.76 111.413 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -100.68 150.84 22.33 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.062 0.458 . . . . 2.7 110.291 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 4.13 110.623 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 65.4 p-90 -74.41 -27.51 60.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 1.41 110.568 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 96.8 t -76.05 -39.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.189 -0.671 . . . . 1.42 109.189 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.1 -47.1 81.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.676 -0.693 . . . . 2.72 109.767 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.25 -35.02 78.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 1.87 109.353 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -65.78 -50.33 65.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.39 -0.823 . . . . 1.21 110.083 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.832 -0.622 . . . . 2.25 110.346 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.38 -38.79 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 3.17 109.814 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 75.4 t80 -66.07 -48.84 69.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.341 -0.845 . . . . 1.93 109.755 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.8 mt -66.61 -40.57 88.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.644 -0.707 . . . . 1.83 110.179 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -35.52 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.341 -0.845 . . . . 1.95 110.211 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -83.47 -31.66 26.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 3.38 110.59 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.73 -30.2 68.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.889 -0.596 . . . . 4.52 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -56.2 109.41 1.65 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.05 -0.523 . . . . 3.01 110.776 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.87 95.32 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.666 1.577 . . . . 4.86 112.621 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 p 48.1 90.57 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.53 0 CA-C-N 115.833 -0.622 . . . . 5.56 111.436 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.2 -51.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.475 0.387 0 C-N-CA 121.792 1.661 . . . . 8.11 112.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 83.1 14.72 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.894 -0.594 . . . . 12.09 110.428 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.22 -0.396 0 C-N-CA 121.899 1.733 . . . . 11.26 112.578 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.551 -1.42 . . . . 13.84 109.551 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.11 -28.47 1.97 Allowed 'Trans proline' 0 N--CA 1.475 0.383 0 C-N-CA 121.831 1.688 . . . . 13.34 112.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.36 89.91 0.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.853 -0.612 . . . . 10.68 110.385 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -134.33 32.88 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 8.48 110.419 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.82 86.49 54.95 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.798 -0.637 . . . . 6.62 110.166 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.7 135.72 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.391 0 C-N-CA 121.924 1.749 . . . . 5.86 112.534 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -68.1 80.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.824 -0.625 . . . . 5.03 110.414 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -105.92 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 4.32 110.339 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -125.04 160.03 29.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 2.4 110.217 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.92 132.51 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.626 . . . . 2.06 110.639 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -118.98 -43.27 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 3.02 110.351 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -81.7 86.79 6.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 3.69 110.203 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.2 mt -60.95 140.95 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.645 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.02 134.61 36.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.783 -0.644 . . . . 1.93 110.608 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -100.59 -31.78 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.685 -0.689 . . . . 3.36 110.218 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -72.13 121.68 19.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.885 -0.598 . . . . 4.77 110.505 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -58.01 136.63 57.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.702 -0.681 . . . . 3.52 110.734 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 18' ' ' ILE . 62.5 mt -104.82 139.86 20.51 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.735 -0.666 . . . . 1.78 109.871 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -78.85 157.1 27.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.434 1.423 . . . . 1.73 113.086 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 35.7 mt -80.78 -43.82 19.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.204 -0.907 . . . . 1.72 111.176 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.66 -29.42 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.799 -0.637 . . . . 2.62 111.138 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -90.33 -12.06 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 4.6 111.507 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.39 142.8 45.0 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.315 0.579 . . . . 1.66 110.913 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.66 -35.49 5.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.372 -0.831 . . . . 3.03 110.24 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -176.72 -171.72 0.4 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.88 -0.6 . . . . 2.25 109.914 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.1 p90 -153.62 152.48 30.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.192 0.52 . . . . 2.53 110.943 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -128.48 119.44 24.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.553 -0.748 . . . . 4.06 110.393 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -107.0 148.27 28.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 3.03 110.38 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.7 mt -124.78 136.06 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 2.17 110.222 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 p -159.41 30.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.792 -0.64 . . . . 2.73 110.496 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -74.68 -178.79 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 3.81 110.515 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.72 31.16 8.7 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.799 -0.92 . . . . 2.97 110.799 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -122.16 -44.34 2.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.172 0.511 . . . . 5.7 110.448 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.51 156.34 53.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 2.17 110.271 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.63 -26.79 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.871 1.714 . . . . 2.44 112.51 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.89 156.11 41.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.837 -0.62 . . . . 3.85 110.339 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.37 147.06 23.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.795 -0.639 . . . . 3.72 110.343 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.49 -177.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.602 . . . . 1.66 110.431 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.3 t -132.19 158.44 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.767 -0.651 . . . . 1.54 110.479 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -132.66 130.68 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.314 -0.857 . . . . 2.16 109.685 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -109.2 147.93 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.196 0.522 . . . . 1.49 110.817 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 130.75 46.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.756 . . . . 3.38 110.01 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.0 p -89.75 -166.27 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.485 -0.779 . . . . 2.04 109.909 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -97.57 30.67 2.82 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.001 0.429 . . . . 3.6 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mt -126.45 21.39 7.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.07 -0.514 . . . . 3.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 37.66 18.02 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.148 0.499 . . . . 2.86 110.492 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -127.63 141.86 51.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.589 . . . . 3.77 110.463 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.24 145.8 42.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.391 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.8 mm -135.04 153.77 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 2.53 110.228 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.58 143.28 26.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.387 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.6 143.17 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 1.47 110.382 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -89.81 150.13 43.31 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.95 -0.568 . . . . 2.22 110.118 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -80.54 4.24 7.04 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 121.633 1.555 . . . . 1.21 113.486 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -110.16 22.19 15.86 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.609 -0.437 . . . . 3.76 111.097 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 7.7 mmtm -100.57 158.61 15.8 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.064 0.459 . . . . 2.7 110.17 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -77.15 -41.19 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.817 -0.629 . . . . 4.13 110.61 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 67.9 p-90 -80.1 -28.61 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 1.41 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 61.1 t -73.04 -42.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.192 -0.669 . . . . 1.42 109.192 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.87 -47.92 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 2.72 109.436 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -34.64 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.354 -0.839 . . . . 1.87 109.244 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -63.65 -52.19 61.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.396 -0.82 . . . . 1.21 110.032 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtm -60.4 -45.3 94.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.774 -0.648 . . . . 2.25 110.394 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.99 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 3.17 109.799 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 33.4 t80 -61.68 -49.06 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.352 -0.84 . . . . 1.93 110.056 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD11 ' CD1' ' A' ' 26' ' ' TYR . 58.5 mt -68.84 -38.89 80.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 1.83 110.453 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.88 -25.05 62.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.281 -0.872 . . . . 1.95 110.929 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -90.29 -25.98 20.25 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.944 0.35 . . . . 3.38 111.944 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -22.29 34.41 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.683 -0.407 . . . . 4.52 111.548 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -57.54 133.96 82.13 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.542 -0.299 . . . . 3.01 110.628 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.62 -41.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 121.692 1.595 . . . . 4.86 112.715 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 p 58.52 160.72 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.473 0 CA-C-N 115.445 -0.798 . . . . 5.56 110.614 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.9 132.11 6.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 121.8 1.666 . . . . 8.11 112.627 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 3.3 tttt -79.73 -52.34 1.09 Allowed Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 115.758 -0.655 . . . . 12.09 110.608 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 73' ' ' LYS . 40.4 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 121.622 1.548 . . . . 11.26 112.569 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.511 -1.436 . . . . 13.84 109.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.88 112.93 2.42 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.844 1.696 . . . . 13.34 112.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.27 86.14 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 10.68 110.381 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 p -164.88 32.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.619 . . . . 8.48 110.471 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 12.1 t -64.11 -45.16 79.42 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 115.796 -0.638 . . . . 6.62 111.449 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.6 Cg_endo -80.03 155.87 23.12 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.281 1.321 . . . . 5.86 112.33 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 t -140.02 -47.16 0.44 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.109 -0.496 . . . . 5.03 110.992 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 m -164.04 115.87 1.35 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.154 0.502 . . . . 4.32 111.055 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 161.33 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.715 -0.675 . . . . 2.4 110.168 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 140.43 58.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.768 -0.651 . . . . 2.06 110.685 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -127.61 172.74 10.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 3.02 109.562 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 41.72 76.73 0.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.29 0.567 . . . . 3.69 111.403 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.14 139.67 46.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.497 -0.774 . . . . 1.94 111.143 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.93 139.26 58.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.455 -0.793 . . . . 1.93 110.597 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.9 -35.03 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.778 -0.647 . . . . 3.36 110.117 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -74.26 170.61 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.77 110.007 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -100.1 144.61 28.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.242 0.544 . . . . 3.52 110.603 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.7 mt -107.2 140.01 21.03 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.667 -0.697 . . . . 1.78 109.783 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -77.78 157.59 31.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.355 1.37 . . . . 1.73 113.053 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 26.5 mt -80.53 -40.13 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.34 -0.845 . . . . 1.72 111.128 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.63 -30.68 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.641 . . . . 2.62 111.171 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -90.4 -12.17 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 4.6 111.489 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.59 146.6 44.56 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.461 0.648 . . . . 1.66 111.161 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.26 -41.23 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.148 -0.933 . . . . 3.03 110.074 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -171.96 -174.21 1.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.698 -0.683 . . . . 2.25 109.894 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.426 ' CD1' HD11 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -153.73 153.4 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.242 0.544 . . . . 2.53 110.925 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -136.61 121.13 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.591 -0.731 . . . . 4.06 110.352 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -97.11 149.12 22.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.899 -0.591 . . . . 3.03 110.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.7 mt -126.53 136.83 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 2.17 110.47 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.4 m -164.15 42.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 2.73 110.181 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -72.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.723 -0.671 . . . . 3.81 110.75 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.37 -37.46 1.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.778 -0.929 . . . . 2.97 110.778 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -69.86 -31.64 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.085 0.469 . . . . 5.7 110.411 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.67 167.37 2.57 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.859 -0.61 . . . . 2.17 110.581 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -79.02 -29.73 3.12 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 121.839 1.693 . . . . 2.44 112.74 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -160.11 135.48 8.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 3.85 110.552 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 144.45 30.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.797 -0.638 . . . . 3.72 110.271 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.09 -173.96 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 1.66 110.34 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.0 t -119.49 157.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.412 0.625 . . . . 1.54 110.264 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.1 130.13 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.158 -0.928 . . . . 2.16 109.515 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -108.98 149.0 29.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.336 0.589 . . . . 1.49 110.863 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -123.94 130.98 53.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 3.38 109.758 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -97.0 -168.24 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.631 . . . . 2.04 109.993 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.48 29.6 3.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 3.6 110.597 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 20.07 11.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.073 -0.512 . . . . 3.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.37 38.36 19.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.108 0.48 . . . . 2.86 110.608 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -136.14 158.42 44.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 3.77 110.63 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.0 157.83 33.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.674 -0.694 . . . . 2.28 110.374 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.447 HG22 HD11 ' A' ' 49' ' ' ILE . 54.7 mt -141.94 159.51 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 2.53 110.356 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.3 m -96.14 138.5 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.742 -0.663 . . . . 1.82 110.419 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.41 154.24 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.806 -0.633 . . . . 1.47 110.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.1 152.63 44.5 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.818 -0.628 . . . . 2.22 109.676 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -78.28 3.51 7.06 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 121.525 1.483 . . . . 1.21 113.667 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -98.75 9.41 43.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.649 -0.42 . . . . 3.76 111.307 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.34 158.17 16.08 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.093 0.473 . . . . 2.7 110.399 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -75.89 -47.02 27.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.804 -0.634 . . . . 4.13 110.726 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 66.5 p-90 -69.2 -27.15 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 1.41 110.478 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 62.9 t -76.95 -37.2 26.54 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 N-CA-C 109.097 -0.705 . . . . 1.42 109.097 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.06 -47.56 76.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 2.72 109.579 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.382 -0.826 . . . . 1.87 109.327 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.32 -50.05 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.421 -0.809 . . . . 1.21 109.966 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.407 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.7 ttp -64.52 -44.59 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 2.25 109.912 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -35.39 80.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 3.17 109.561 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 24.1 t80 -61.2 -55.36 33.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.332 -0.849 . . . . 1.93 109.809 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 26' ' ' TYR . 81.5 mt -66.31 -42.18 88.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.779 -0.646 . . . . 1.83 109.673 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.01 -23.56 65.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 1.95 110.193 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -78.12 -5.28 51.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.153 -0.476 . . . . 3.38 112.171 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 20.34 3.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 120.125 -0.63 . . . . 4.52 111.811 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -53.86 -49.13 91.12 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.511 0.189 . . . . 3.01 111.511 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 69' ' ' SER . 38.4 Cg_endo -78.0 87.54 1.52 Allowed 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 121.343 1.362 . . . . 4.86 112.484 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.15 167.36 13.2 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.487 -0.779 . . . . 5.56 110.093 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.83 158.93 24.56 Favored 'Trans proline' 0 N--CA 1.475 0.403 0 C-N-CA 121.552 1.501 . . . . 8.11 112.512 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 140.81 88.93 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.816 -0.629 . . . . 12.09 110.475 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--N 1.346 0.446 0 C-N-CA 121.751 1.634 . . . . 11.26 112.519 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.507 -1.437 . . . . 13.84 109.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.06 146.06 14.2 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 121.886 1.724 . . . . 13.34 112.466 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.23 110.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.814 -0.63 . . . . 10.68 110.408 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 p 56.0 -170.49 0.08 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.833 -0.621 . . . . 8.48 110.84 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.66 72.19 74.01 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.931 -0.577 . . . . 6.62 110.281 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.6 112.07 2.38 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.882 1.721 . . . . 5.86 112.577 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -100.18 33.39 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.605 . . . . 5.03 110.441 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 t -109.53 -30.35 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.81 -0.632 . . . . 4.32 110.706 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.5 m -106.58 -172.08 2.02 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.081 -0.509 . . . . 2.4 109.998 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.28 -66.84 1.04 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 2.06 110.373 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 60.34 31.11 20.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.847 -0.615 . . . . 3.02 110.658 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -178.14 83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 3.69 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.36 161.1 20.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.849 -0.614 . . . . 1.94 110.351 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.21 142.35 31.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.853 -0.612 . . . . 1.93 110.564 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.96 -35.38 9.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 3.36 110.277 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -78.31 113.42 16.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.663 -0.698 . . . . 4.77 110.078 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 4.6 ptmt -59.77 137.48 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 3.52 110.739 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.0 mt -89.74 139.86 27.87 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.515 -0.766 . . . . 1.78 109.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -76.36 158.24 36.9 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.417 1.411 . . . . 1.73 112.958 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 29.8 mt -80.35 -43.27 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.337 -0.847 . . . . 1.72 111.178 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -28.86 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.62 111.105 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -94.94 -9.15 34.96 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.04 -0.527 . . . . 4.6 111.589 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mt -76.91 146.81 37.36 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.339 0.59 . . . . 1.66 111.134 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.54 -40.73 2.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.245 -0.889 . . . . 3.03 110.285 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -178.7 160.52 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.843 -0.617 . . . . 2.25 110.063 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.2 p90 -124.34 159.68 29.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.142 0.496 . . . . 2.53 110.629 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -135.06 103.31 5.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 4.06 110.538 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -81.4 144.96 31.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.636 . . . . 3.03 110.258 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.3 mt -118.84 138.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.633 -0.712 . . . . 2.17 110.511 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.0 m -163.77 31.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 2.73 110.398 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -84.5 -172.53 4.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 3.81 110.574 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.84 32.71 7.2 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.8 -0.92 . . . . 2.97 110.8 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.16 -32.81 7.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.452 . . . . 5.7 110.404 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.0 m -100.66 157.12 34.31 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.901 -0.591 . . . . 2.17 110.434 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.59 -33.12 0.72 Allowed 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 121.794 1.663 . . . . 2.44 112.635 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -127.5 139.61 52.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.789 -0.642 . . . . 3.85 110.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -72.54 153.88 41.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 3.72 110.351 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.03 -178.29 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.89 -0.595 . . . . 1.66 110.573 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.5 t -135.39 159.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.623 -0.717 . . . . 1.54 110.153 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.3 mt -135.48 132.15 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.716 . . . . 2.16 109.929 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 56.9 m-85 -111.11 147.59 34.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.308 0.575 . . . . 1.49 111.048 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -125.97 137.43 53.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.308 -0.86 . . . . 3.38 109.712 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.6 p -99.98 -166.65 1.36 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.375 -0.83 . . . . 2.04 109.98 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -97.92 30.36 3.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 3.6 110.662 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -125.03 20.67 8.24 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 3.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 43.85 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.297 0.57 . . . . 2.86 110.594 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -135.39 154.4 51.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 3.77 110.593 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.29 144.0 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.653 -0.703 . . . . 2.28 110.305 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.9 mm -134.75 148.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 2.53 110.416 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.21 151.66 24.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 1.82 110.223 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.99 147.13 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 1.47 110.623 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -91.17 144.13 29.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.726 -0.67 . . . . 2.22 109.884 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -79.46 1.13 9.45 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 121.545 1.497 . . . . 1.21 113.537 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -110.36 22.35 15.61 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.592 -0.443 . . . . 3.76 110.98 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 179.38 4.45 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.087 0.47 . . . . 2.7 110.487 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -90.09 -57.79 2.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.77 -0.65 . . . . 4.13 110.91 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.416 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 67.8 p-90 -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 1.41 110.036 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 54.8 t -70.84 -38.87 74.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 108.853 -0.795 . . . . 1.42 108.853 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.32 -47.09 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.453 -0.794 . . . . 2.72 109.214 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.82 -35.74 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.358 -0.837 . . . . 1.87 109.164 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.415 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -64.35 -53.84 42.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.356 -0.838 . . . . 1.21 109.926 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.425 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 33.8 ttm -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.739 -0.664 . . . . 2.25 110.225 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -65.93 -37.02 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.315 0.579 . . . . 3.17 109.878 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 34.4 t80 -63.42 -50.91 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.349 -0.841 . . . . 1.93 109.855 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.8 mt -69.85 -39.88 76.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.421 0.629 . . . . 1.83 109.796 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.76 -31.23 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.14 -0.937 . . . . 1.95 110.258 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -59.77 -30.32 68.79 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.038 -0.528 . . . . 3.38 110.611 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.192 0.52 . . . . 4.52 110.398 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.405 ' CB ' ' CD ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -90.15 176.06 3.31 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.595 -0.73 . . . . 3.01 110.059 179.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 39.8 Cg_endo -81.17 112.52 2.57 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.693 1.596 . . . . 4.86 112.427 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -60.6 142.3 91.48 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.783 -0.644 . . . . 5.56 110.571 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -83.51 -166.0 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 121.791 1.66 . . . . 8.11 112.402 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mttt 60.24 163.7 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.858 -0.61 . . . . 12.09 110.628 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.221 -0.372 0 C-N-CA 121.873 1.715 . . . . 11.26 112.54 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.499 -1.44 . . . . 13.84 109.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -85.24 13.26 2.82 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.957 1.771 . . . . 13.34 113.516 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 69.87 -66.9 0.25 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.992 0.425 . . . . 10.68 110.699 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m 61.14 62.17 1.45 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.415 0.626 . . . . 8.48 110.351 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.2 m -59.24 153.36 47.69 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.659 -0.7 . . . . 6.62 110.665 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -81.52 -72.08 0.01 OUTLIER 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 121.924 1.749 . . . . 5.86 113.075 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -95.29 94.11 7.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.062 0.458 . . . . 5.03 110.586 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -164.59 -63.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.821 -0.627 . . . . 4.32 110.41 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.81 -172.35 3.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 2.4 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.21 113.6 23.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.98 -0.555 . . . . 2.06 110.399 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.08 -31.73 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 3.02 110.438 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.56 86.32 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 3.69 110.399 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.21 140.27 58.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 1.94 110.34 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 135.71 51.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.775 -0.648 . . . . 1.93 110.431 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -102.48 -34.11 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.747 -0.66 . . . . 3.36 110.309 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -77.08 128.25 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.826 -0.625 . . . . 4.77 110.288 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 40.2 mtmt -61.44 126.0 25.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 3.52 110.504 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.6 mt -89.9 139.66 27.6 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.707 -0.679 . . . . 1.78 110.035 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.08 157.39 26.7 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.535 1.49 . . . . 1.73 112.94 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.0 mt -80.74 -42.52 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.362 -0.835 . . . . 1.72 110.999 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -57.95 -30.05 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 2.62 110.996 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -90.03 -12.76 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 4.6 111.309 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.6 145.65 50.58 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.358 0.599 . . . . 1.66 110.842 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -120.65 -41.42 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.243 -0.889 . . . . 3.03 110.252 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 t -169.21 174.16 6.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 2.25 109.942 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 2.7 p90 -146.04 156.71 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.102 0.477 . . . . 2.53 110.754 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -133.05 122.8 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.677 -0.692 . . . . 4.06 110.542 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -100.78 146.37 27.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 3.03 110.326 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.42 HD11 HG22 ' A' ' 29' ' ' ILE . 53.8 mt -132.97 135.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 2.17 110.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 m -163.99 31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.73 110.451 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -171.22 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 3.81 110.498 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 35.68 4.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.722 -0.951 . . . . 2.97 110.722 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -115.08 -56.22 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.185 0.517 . . . . 5.7 110.44 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.6 150.74 96.76 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 2.17 110.323 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.5 -28.28 1.87 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.847 1.698 . . . . 2.44 112.566 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -132.44 107.56 8.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.69 -0.686 . . . . 3.85 110.387 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -61.4 141.42 57.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.854 -0.612 . . . . 3.72 110.468 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.53 -177.55 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.859 -0.609 . . . . 1.66 110.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.0 158.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.691 -0.686 . . . . 1.54 110.314 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -127.38 130.37 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.238 -0.892 . . . . 2.16 109.344 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -107.58 148.16 29.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.304 0.573 . . . . 1.49 111.019 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -124.96 130.24 51.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.35 -0.841 . . . . 3.38 109.558 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.6 p -94.11 -167.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 2.04 110.017 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -98.37 30.12 3.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.236 -0.438 . . . . 3.6 110.679 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -123.54 20.75 9.48 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.062 -0.517 . . . . 3.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.43 39.31 18.61 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.222 0.534 . . . . 2.86 110.572 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -138.01 144.4 41.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 3.77 110.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -111.79 156.14 22.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.783 -0.644 . . . . 2.28 110.414 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.5 mt -140.63 159.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.872 -0.604 . . . . 2.53 110.303 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.6 m -92.45 146.64 23.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 1.82 110.479 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.92 133.29 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 1.47 110.552 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -92.6 157.59 39.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.206 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 11.69 3.05 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 121.839 1.693 . . . . 1.21 113.964 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -106.1 12.68 30.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.58 -0.448 . . . . 3.76 111.502 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.65 156.02 17.55 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.02 0.438 . . . . 2.7 110.37 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -34.39 58.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 4.13 111.053 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.428 ' CE2' HG21 ' A' ' 58' ' ' VAL . 70.7 p-90 -84.92 -26.42 27.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.449 -0.501 . . . . 1.41 110.421 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 HG21 ' CE2' ' A' ' 57' ' ' TRP . 67.9 t -73.11 -45.47 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 N-CA-C 109.098 -0.704 . . . . 1.42 109.098 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -48.31 82.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.572 -0.74 . . . . 2.72 109.682 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -32.56 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.442 -0.799 . . . . 1.87 109.267 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -65.57 -53.95 34.79 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.478 -0.783 . . . . 1.21 110.449 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.8 ptm -62.3 -37.88 87.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.125 -0.488 . . . . 2.25 110.672 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -72.46 -35.75 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.391 0.615 . . . . 3.17 109.841 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 57.7 t80 -66.22 -47.45 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.297 -0.865 . . . . 1.93 109.735 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 65.2 mt -64.92 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.537 0.684 . . . . 1.83 109.995 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -46.84 88.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.913 -1.039 . . . . 1.95 110.938 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.32 -29.62 30.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.65 -0.42 . . . . 3.38 111.166 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -61.95 -24.91 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 4.52 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.8 p -47.74 104.93 0.44 Allowed Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.455 -0.339 . . . . 3.01 111.454 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.13 -165.63 0.32 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 121.785 1.656 . . . . 4.86 112.804 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.8 p 52.8 74.31 0.8 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.729 -0.668 . . . . 5.56 111.129 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.42 56.02 5.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.004 1.803 . . . . 8.11 112.466 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -113.46 89.76 15.89 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 115.852 -0.613 . . . . 12.09 110.555 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.22 -0.403 0 C-N-CA 121.813 1.676 . . . . 11.26 112.584 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.578 -1.409 . . . . 13.84 109.578 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.13 -55.23 0.03 OUTLIER 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 121.892 1.728 . . . . 13.34 112.597 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.35 84.08 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 10.68 110.402 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -84.79 89.78 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.876 -0.602 . . . . 8.48 110.411 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.33 139.54 22.47 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.899 -0.591 . . . . 6.62 110.238 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.96 151.7 14.28 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.677 1.585 . . . . 5.86 112.626 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -109.33 131.18 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 5.03 110.426 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.08 171.94 7.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 4.32 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -111.93 -71.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 2.4 110.464 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 -70.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.817 -0.629 . . . . 2.06 110.33 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 59.94 177.96 0.09 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.901 -0.59 . . . . 3.02 110.305 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.55 61.22 1.9 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.516 0.674 . . . . 3.69 111.749 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.34 140.32 56.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.467 -0.788 . . . . 1.94 110.768 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' CH2' ' A' ' 57' ' ' TRP . . . -62.95 139.42 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.582 -0.736 . . . . 1.93 110.604 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -103.12 -33.45 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.731 -0.668 . . . . 3.36 110.282 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.64 152.85 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 4.77 110.276 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 30.8 mttp -81.72 127.59 33.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.815 -0.63 . . . . 3.52 110.447 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.87 139.65 27.64 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.642 -0.708 . . . . 1.78 109.919 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.8 157.47 31.42 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 121.41 1.406 . . . . 1.73 113.036 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 27.1 mt -80.63 -37.51 30.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.332 -0.849 . . . . 1.72 110.927 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -59.25 -31.53 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 2.62 110.863 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -88.97 -13.25 39.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 4.6 111.298 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.84 144.45 45.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.363 0.601 . . . . 1.66 111.039 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -120.28 -41.74 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.116 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -168.35 -176.15 2.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.818 -0.628 . . . . 2.25 109.781 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.412 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.3 p90 -154.52 164.62 38.41 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 2.53 110.853 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -148.25 122.3 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 4.06 110.469 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -92.63 143.57 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 3.03 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 29' ' ' ILE . 53.3 mt -116.06 136.1 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.4 -0.818 . . . . 2.17 110.248 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 m -149.46 31.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.805 -0.634 . . . . 2.73 110.447 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 132.63 46.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 3.81 110.467 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.2 -27.69 65.58 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.022 -0.831 . . . . 2.97 111.022 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -69.76 -32.49 71.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.026 0.441 . . . . 5.7 110.643 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.21 150.03 97.39 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.961 -0.563 . . . . 2.17 110.352 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.84 -28.01 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.864 1.709 . . . . 2.44 112.596 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -133.73 129.1 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 3.85 110.668 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 106.46 17.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.859 -0.609 . . . . 3.72 109.787 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.56 -176.76 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.322 0.582 . . . . 1.66 111.043 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.4 t -119.43 159.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.303 -0.862 . . . . 1.54 109.86 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.9 mt -126.7 130.33 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.441 -0.799 . . . . 2.16 109.368 179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 38.9 m-85 -106.56 147.2 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.328 0.585 . . . . 1.49 111.055 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -115.94 129.05 56.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.127 -0.942 . . . . 3.38 109.212 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.3 p -98.54 -166.35 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.175 -0.466 . . . . 2.04 110.084 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -96.03 28.29 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.887 0.375 . . . . 3.6 111.016 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.72 18.54 7.99 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.291 -0.413 . . . . 3.0 111.058 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.69 35.37 22.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.147 0.499 . . . . 2.86 110.655 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -126.28 147.64 49.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 3.77 110.671 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.44 139.52 48.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.759 -0.655 . . . . 2.28 110.278 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -126.42 159.46 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 2.53 110.238 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.3 m -92.73 143.89 25.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.268 -0.878 . . . . 1.82 110.114 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.24 137.55 19.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 1.47 110.7 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -89.89 149.15 41.3 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.861 -0.609 . . . . 2.22 110.096 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.96 9.63 3.86 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 121.807 1.671 . . . . 1.21 113.897 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.18 17.52 20.89 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.554 -0.458 . . . . 3.76 111.369 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.8 174.2 6.15 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.121 0.486 . . . . 2.7 110.462 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -88.78 -47.13 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 4.13 110.592 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CH2' HG21 ' A' ' 58' ' ' VAL . 65.5 p-90 -72.06 -31.01 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 1.41 110.056 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.422 HG21 ' CH2' ' A' ' 57' ' ' TRP . 60.0 t -71.12 -40.91 75.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.307 -0.627 . . . . 1.42 109.307 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 2.72 109.528 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.81 -33.76 68.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.474 -0.785 . . . . 1.87 109.129 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -68.01 -53.03 28.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.417 -0.811 . . . . 1.21 110.446 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -34.9 79.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 2.25 110.199 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.61 66.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.374 0.607 . . . . 3.17 109.478 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 42.3 t80 -63.27 -49.97 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.169 -0.923 . . . . 1.93 109.906 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 HD11 ' CD1' ' A' ' 26' ' ' TYR . 44.9 mt -65.5 -42.94 91.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.873 -0.603 . . . . 1.83 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.1 -32.17 72.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.404 -0.817 . . . . 1.95 110.456 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.84 -38.85 17.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.94 -0.573 . . . . 3.38 110.727 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -59.37 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.677 . . . . 4.52 110.699 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.3 p -57.33 109.75 1.97 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.642 -0.708 . . . . 3.01 110.746 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -85.15 11.39 3.39 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 4.86 113.322 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -143.13 85.16 9.89 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 120.803 -0.359 . . . . 5.56 110.446 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.27 144.84 13.29 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 121.845 1.697 . . . . 8.11 112.61 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -63.98 153.49 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.883 -0.598 . . . . 12.09 110.382 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.419 0 C-N-CA 121.83 1.687 . . . . 11.26 112.58 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.559 -1.416 . . . . 13.84 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.12 -27.56 2.35 Favored 'Trans proline' 0 N--CA 1.475 0.397 0 C-N-CA 121.856 1.704 . . . . 13.34 112.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 65.29 -77.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.819 -0.628 . . . . 10.68 110.601 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.36 31.35 20.36 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.219 -0.446 . . . . 8.48 110.612 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.3 m -112.18 90.76 14.46 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.936 -0.574 . . . . 6.62 110.495 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.76 76.74 4.36 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.71 1.606 . . . . 5.86 112.533 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.7 m -103.78 31.92 4.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.772 -0.649 . . . . 5.03 110.402 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.97 176.17 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.949 -0.569 . . . . 4.32 110.419 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 87.3 m -80.1 -20.23 45.57 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.853 -0.612 . . . . 2.4 111.19 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.3 m 63.43 76.76 0.35 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.141 0.496 . . . . 2.06 110.087 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 64.6 m-85 -81.85 -34.7 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 3.02 110.357 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.09 82.79 8.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 3.69 110.465 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.74 140.39 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 1.94 110.313 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.84 140.2 58.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 1.93 110.514 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -101.79 -38.12 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.888 -0.596 . . . . 3.36 110.194 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.75 132.33 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.682 -0.69 . . . . 4.77 109.894 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 23.5 mttt -61.81 135.05 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.606 . . . . 3.52 110.557 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.5 mt -89.74 139.73 27.85 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.589 -0.732 . . . . 1.78 109.86 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -76.26 156.12 37.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.307 1.338 . . . . 1.73 112.854 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 53.1 mt -80.67 -44.32 18.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.149 -0.932 . . . . 1.72 111.282 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.31 -28.97 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 2.62 111.18 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -90.11 -12.91 36.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 4.6 111.521 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.94 147.8 40.59 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.354 0.597 . . . . 1.66 111.1 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -120.95 -41.35 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.175 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.7 t -179.43 159.43 0.91 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.808 -0.633 . . . . 2.25 109.949 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.4 p90 -120.7 164.45 16.53 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.11 0.481 . . . . 2.53 110.778 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -148.75 108.68 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 4.06 110.366 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -79.79 148.81 31.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.872 -0.604 . . . . 3.03 110.457 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 HG22 ' A' ' 29' ' ' ILE . 56.1 mt -119.85 139.7 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 2.17 110.163 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.81 32.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.846 -0.615 . . . . 2.73 110.46 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -63.73 -172.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 3.81 110.359 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.16 31.64 7.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.811 -0.916 . . . . 2.97 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -120.45 -43.28 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.108 0.48 . . . . 5.7 110.55 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.07 150.77 96.18 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.74 -0.664 . . . . 2.17 110.377 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.36 -27.9 2.09 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.855 1.703 . . . . 2.44 112.581 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -135.33 146.83 48.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.791 -0.641 . . . . 3.85 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -83.54 153.15 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.786 -0.643 . . . . 3.72 110.455 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.02 -177.73 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 1.66 110.427 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.6 t -123.56 157.25 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.501 0.667 . . . . 1.54 110.382 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 40' ' ' ILE . 18.9 mm -127.96 131.08 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.093 -0.958 . . . . 2.16 109.281 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 26' ' ' TYR . 31.0 m-85 -110.44 147.62 33.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.375 0.607 . . . . 1.49 110.96 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.7 mtmm -123.53 132.01 53.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.285 -0.871 . . . . 3.38 109.902 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -90.15 -167.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.632 -0.713 . . . . 2.04 109.969 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 29.94 2.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.014 0.435 . . . . 3.6 110.641 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.99 20.46 6.43 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.094 -0.503 . . . . 3.0 110.854 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 50.02 5.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.317 0.579 . . . . 2.86 110.533 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -137.66 150.63 47.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 3.77 110.529 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.49 140.67 49.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.72 -0.673 . . . . 2.28 110.306 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.6 mm -126.41 159.61 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 2.53 110.359 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -91.64 143.7 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 1.82 110.051 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.72 36.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.244 0.545 . . . . 1.47 110.695 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.57 151.92 42.5 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.582 -0.736 . . . . 2.22 109.972 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.18 6.83 5.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 121.792 1.661 . . . . 1.21 113.547 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -110.35 16.28 21.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.667 -0.413 . . . . 3.76 111.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -100.66 157.26 16.81 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.108 0.48 . . . . 2.7 110.465 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -77.86 -35.4 51.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.834 -0.621 . . . . 4.13 110.655 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.432 ' CE2' HG21 ' A' ' 58' ' ' VAL . 68.2 p-90 -79.61 -27.1 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 1.41 110.475 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 57' ' ' TRP . 89.2 t -73.65 -42.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.054 -0.721 . . . . 1.42 109.054 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -62.82 -48.15 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.579 -0.737 . . . . 2.72 109.556 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -65.26 -33.72 76.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 1.87 109.342 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -65.31 -53.7 40.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.513 -0.767 . . . . 1.21 109.963 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.419 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.8 ttt -60.5 -42.43 96.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.914 -0.585 . . . . 2.25 110.414 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.99 -40.25 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.323 0.582 . . . . 3.17 109.687 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 67.7 t80 -61.47 -49.14 77.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.224 -0.898 . . . . 1.93 110.079 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.17 -40.37 95.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 1.83 110.292 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -44.82 95.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.842 . . . . 1.95 110.097 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -91.19 16.21 10.31 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.482 -0.781 . . . . 3.38 112.201 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -50.07 -25.32 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.107 -0.497 . . . . 4.52 111.788 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -49.37 146.42 6.52 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 116.456 -0.338 . . . . 3.01 111.077 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.68 128.79 6.15 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.757 1.638 . . . . 4.86 112.892 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.1 t -177.5 63.55 0.19 Allowed Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.694 -0.685 . . . . 5.56 110.341 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -82.09 -69.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.793 1.662 . . . . 8.11 112.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 tttp 60.15 82.09 0.23 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.222 -0.444 . . . . 12.09 110.48 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--O 1.22 -0.408 0 C-N-CA 121.836 1.69 . . . . 11.26 112.642 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.537 -1.425 . . . . 13.84 109.537 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.08 -48.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 121.881 1.72 . . . . 13.34 112.648 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.56 179.76 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.609 . . . . 10.68 110.431 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -130.87 -70.7 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 8.48 110.448 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.2 87.89 14.12 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.876 -0.602 . . . . 6.62 110.348 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.72 170.32 14.29 Favored 'Trans proline' 0 N--CA 1.474 0.344 0 C-N-CA 121.895 1.73 . . . . 5.86 112.466 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -161.09 -47.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.565 . . . . 5.03 110.624 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.96 173.28 0.1 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.0 -0.545 . . . . 4.32 110.275 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.66 179.54 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 2.4 110.321 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 t -99.04 -51.48 3.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.185 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 62.37 32.38 16.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.279 0.562 . . . . 3.02 110.032 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -168.71 79.04 0.13 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.446 -0.797 . . . . 3.69 109.639 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.5 mt -68.75 157.57 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.499 -0.773 . . . . 1.94 110.847 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.46 172.86 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.648 -0.706 . . . . 1.93 110.741 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.68 -46.39 1.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.647 -0.706 . . . . 3.36 110.352 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -73.87 128.56 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 4.77 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -61.48 136.51 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 3.52 110.747 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.8 mt -90.0 139.76 27.46 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.563 -0.744 . . . . 1.78 109.742 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -77.03 155.47 33.74 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.357 1.371 . . . . 1.73 112.914 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 32.6 mt -80.8 -43.18 20.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.163 -0.926 . . . . 1.72 111.172 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.73 -29.67 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 2.62 111.039 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -94.43 -10.41 32.52 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.046 -0.524 . . . . 4.6 111.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.62 140.33 44.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.286 0.565 . . . . 1.66 110.934 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -111.49 -38.35 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.463 -0.789 . . . . 3.03 110.126 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -179.98 173.12 0.99 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.634 -0.712 . . . . 2.25 109.94 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 12.1 p90 -135.82 160.69 37.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.141 0.496 . . . . 2.53 110.732 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -139.95 128.71 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 4.06 110.495 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -104.35 143.5 32.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.811 -0.632 . . . . 3.03 110.327 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.3 mt -113.76 134.43 56.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.507 -0.77 . . . . 2.17 110.268 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.17 30.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 2.73 110.484 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -73.98 -172.92 1.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 3.81 110.551 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 -24.36 37.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.216 -0.753 . . . . 2.97 111.216 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -69.5 -32.19 70.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.03 0.443 . . . . 5.7 110.64 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.52 142.86 58.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.006 -0.543 . . . . 2.17 110.425 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.62 -30.09 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.688 1.592 . . . . 2.44 112.26 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -131.08 -177.15 4.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 3.85 110.378 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -104.64 159.28 15.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.899 -0.591 . . . . 3.72 110.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 1.66 110.648 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.9 t -142.41 159.38 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.614 -0.721 . . . . 1.54 110.251 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.9 mt -136.3 130.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 2.16 109.715 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.448 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 50.4 m-85 -108.6 147.98 31.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.452 0.644 . . . . 1.49 111.278 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.23 131.09 55.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.228 -0.896 . . . . 3.38 109.433 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 p -101.66 -167.65 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 2.04 110.261 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 30.12 3.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 3.6 110.747 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.76 20.3 9.34 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.055 -0.52 . . . . 3.0 110.994 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.79 20.69 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.953 0.406 . . . . 2.86 110.727 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -131.2 150.23 52.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.059 -0.519 . . . . 3.77 110.538 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -116.55 152.15 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.682 -0.69 . . . . 2.28 110.245 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 53.9 mt -134.86 159.58 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.606 . . . . 2.53 110.236 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.0 m -100.05 144.68 28.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.481 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.417 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -153.21 146.92 25.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 1.47 110.647 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -95.5 154.99 39.16 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.829 -0.623 . . . . 2.22 110.257 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.36 6.61 5.49 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 121.709 1.606 . . . . 1.21 113.567 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.89 18.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.633 -0.427 . . . . 3.76 111.274 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.38 169.98 8.73 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.065 0.46 . . . . 2.7 110.398 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -84.97 -47.56 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 4.13 110.744 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.8 p-90 -74.36 -27.51 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.41 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG22 ' CE2' ' A' ' 57' ' ' TRP . 59.6 t -74.53 -40.73 48.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.179 -0.675 . . . . 1.42 109.179 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.51 -48.04 79.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 2.72 109.569 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -35.18 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.437 -0.801 . . . . 1.87 109.271 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.98 -52.5 59.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.413 -0.812 . . . . 1.21 109.979 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 29.5 mtp -61.44 -44.44 97.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 2.25 110.366 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -64.91 -37.38 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.337 0.589 . . . . 3.17 109.556 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 55.9 t80 -63.8 -53.71 46.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.277 -0.874 . . . . 1.93 109.546 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 1.83 110.033 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.63 -37.34 86.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 1.95 109.991 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -90.58 13.72 15.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.631 -0.713 . . . . 3.38 111.535 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -59.56 -30.09 68.38 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.923 0.392 . . . . 4.52 110.851 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -88.24 112.64 50.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.046 -0.524 . . . . 3.01 110.457 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.03 -28.69 1.48 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 121.611 1.541 . . . . 4.86 112.455 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -72.66 147.71 89.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.681 -0.691 . . . . 5.56 110.402 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.85 173.73 10.9 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.755 1.637 . . . . 8.11 112.634 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -115.13 85.94 13.2 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.902 -0.59 . . . . 12.09 110.497 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 C--O 1.22 -0.413 0 C-N-CA 121.885 1.723 . . . . 11.26 112.559 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.537 -1.425 . . . . 13.84 109.537 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.13 104.02 1.35 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.859 1.706 . . . . 13.34 112.571 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.98 -65.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 10.68 110.397 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.5 p -161.4 84.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.82 -0.627 . . . . 8.48 110.352 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 p -97.13 139.67 21.63 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.898 -0.592 . . . . 6.62 110.184 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.67 -168.6 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 121.692 1.594 . . . . 5.86 112.628 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -139.03 -52.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 5.03 110.427 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 m -154.54 -64.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 4.32 110.487 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.3 m -100.41 -172.66 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.699 . . . . 2.4 110.174 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.69 118.18 27.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 2.06 110.407 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -109.32 -32.59 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.735 -0.666 . . . . 3.02 110.466 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.48 86.67 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 3.69 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.04 140.62 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 1.94 110.391 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 142.71 56.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.93 110.48 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -103.83 -36.25 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 3.36 110.318 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.98 147.11 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 4.77 110.248 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.5 mttt -77.02 129.18 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 3.52 110.54 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.88 139.92 27.66 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.66 -0.7 . . . . 1.78 109.91 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -77.5 156.35 32.27 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.38 1.387 . . . . 1.73 112.918 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD21 ' CD2' ' A' ' 64' ' ' TYR . 47.9 mt -80.71 -41.19 24.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.162 -0.926 . . . . 1.72 111.202 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 2.62 111.107 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -91.29 -11.72 37.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 4.6 111.591 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.17 146.95 40.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.469 0.652 . . . . 1.66 111.049 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -119.03 -40.82 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.252 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -179.89 160.54 0.9 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.763 -0.653 . . . . 2.25 109.915 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 62' ' ' MET . 12.4 p90 -124.58 157.55 35.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.146 0.498 . . . . 2.53 110.814 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -134.15 100.52 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 4.06 110.328 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -64.97 147.09 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.835 -0.621 . . . . 3.03 110.486 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 mt -104.63 -159.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.875 -0.787 . . . . 2.17 108.875 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.93 31.23 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.092 0.473 . . . . 2.73 110.083 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t -69.53 -32.99 72.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.771 -0.649 . . . . 3.81 110.354 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.3 -31.02 1.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 2.97 110.879 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.87 48.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 5.7 110.52 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.75 151.08 82.26 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.952 -0.567 . . . . 2.17 110.475 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.69 -38.73 0.16 Allowed 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 121.905 1.736 . . . . 2.44 112.672 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -107.33 171.93 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.717 -0.674 . . . . 3.85 110.54 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -110.03 144.09 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 3.72 110.435 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.11 -177.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.958 -0.565 . . . . 1.66 110.547 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -129.14 158.97 41.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.806 -0.634 . . . . 1.54 110.135 179.777 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.1 mt -127.48 137.56 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.539 -0.755 . . . . 2.16 109.627 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 35.8 m-85 -117.17 148.4 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.403 0.62 . . . . 1.49 111.27 -179.251 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -122.37 139.4 53.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.112 -0.949 . . . . 3.38 109.558 179.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.5 p -108.52 -172.85 2.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.485 -0.779 . . . . 2.04 110.357 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -81.33 -1.63 46.07 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.008 -0.542 . . . . 3.6 111.695 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.86 19.82 9.67 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.704 -0.398 . . . . 3.0 111.234 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.26 30.76 19.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.99 0.424 . . . . 2.86 110.869 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.35 160.7 23.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 3.77 110.311 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -124.87 154.72 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.66 -0.7 . . . . 2.28 110.517 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.407 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 4.3 mp -141.19 159.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.441 0.639 . . . . 2.53 110.119 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 81.6 m -94.56 140.04 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.248 -0.887 . . . . 1.82 110.451 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -143.97 145.54 32.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 1.47 110.759 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.76 152.41 40.68 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.725 -0.671 . . . . 2.22 110.187 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 6.92 5.37 Favored 'Trans proline' 0 N--CA 1.476 0.452 0 C-N-CA 121.754 1.636 . . . . 1.21 113.61 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -110.23 16.81 21.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.602 -0.439 . . . . 3.76 111.413 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -100.63 161.25 13.72 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.112 0.482 . . . . 2.7 110.457 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -79.09 -43.95 23.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 4.13 110.75 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 67.2 p-90 -73.72 -28.23 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 1.41 110.396 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 57' ' ' TRP . 73.0 t -73.79 -40.55 53.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.162 -0.681 . . . . 1.42 109.162 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.2 -47.6 79.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.604 -0.725 . . . . 2.72 109.563 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -66.77 -34.47 77.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 1.87 109.272 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.5 m -64.72 -52.5 56.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.406 -0.816 . . . . 1.21 109.915 179.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 2.6 ttm -61.86 -44.52 96.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.767 -0.651 . . . . 2.25 110.44 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -65.64 -36.54 83.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.373 0.606 . . . . 3.17 109.708 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.423 ' CD2' HD21 ' A' ' 20' ' ' LEU . 47.0 t80 -63.59 -52.5 60.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.275 -0.875 . . . . 1.93 109.792 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.26 -40.91 90.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.735 -0.666 . . . . 1.83 110.129 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.55 -32.82 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.297 -0.865 . . . . 1.95 110.24 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.81 -31.82 72.7 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 3.38 110.451 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -60.44 -32.92 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 4.52 110.604 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -74.91 161.29 78.22 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.761 -0.654 . . . . 3.01 110.435 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.96 86.48 1.55 Allowed 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.849 1.699 . . . . 4.86 112.572 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 t -153.78 89.42 3.46 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.792 -0.64 . . . . 5.56 110.47 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.15 61.87 8.31 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 121.845 1.697 . . . . 8.11 112.655 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt 41.14 62.28 6.83 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 115.55 -0.75 . . . . 12.09 112.04 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.413 0 C-N-CA 121.839 1.693 . . . . 11.26 112.545 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.543 -1.423 . . . . 13.84 109.543 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.17 -48.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.906 1.737 . . . . 13.34 112.59 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.53 88.82 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.868 -0.606 . . . . 10.68 110.469 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t 60.66 165.11 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.784 -0.644 . . . . 8.48 110.545 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.2 p -106.97 140.51 21.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.798 -0.637 . . . . 6.62 110.067 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.73 -169.18 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.687 1.591 . . . . 5.86 112.611 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.8 t -134.23 174.52 10.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.733 -0.667 . . . . 5.03 110.348 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 t -106.55 -32.18 8.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 4.32 110.485 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.58 -172.4 2.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 2.4 110.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -166.28 159.98 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 2.06 110.56 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.01 -47.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.582 -0.735 . . . . 3.02 110.299 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.45 70.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 3.69 110.079 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.15 140.77 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.745 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.66 58.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.93 110.333 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -92.98 -45.05 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 3.36 110.27 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.04 166.06 16.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.605 -0.725 . . . . 4.77 110.094 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -97.38 137.4 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 3.52 110.51 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.3 mt -89.72 139.84 27.91 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.685 -0.689 . . . . 1.78 109.823 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -77.25 155.49 32.91 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 121.426 1.418 . . . . 1.73 113.122 -179.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.5 mt -80.73 -43.62 19.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.041 -0.981 . . . . 1.72 111.113 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -57.55 -29.8 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 2.62 111.145 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -95.14 -9.64 32.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 4.6 111.586 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.0 147.7 44.9 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.515 0.674 . . . . 1.66 111.108 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.33 -41.37 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.104 -0.953 . . . . 3.03 110.196 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -179.29 161.59 1.11 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.852 -0.613 . . . . 2.25 109.818 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -127.2 156.57 41.63 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.186 0.517 . . . . 2.53 110.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.13 115.61 14.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 4.06 110.378 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -101.51 149.6 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 3.03 110.461 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.32 142.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 2.17 110.239 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t -158.83 29.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 2.73 110.597 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -86.67 -171.49 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 3.81 110.4 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.53 33.55 6.12 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.735 -0.946 . . . . 2.97 110.735 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -112.11 -37.35 5.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.107 0.48 . . . . 5.7 110.492 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.4 m -91.6 153.87 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 2.17 110.5 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.75 -27.46 2.59 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 121.89 1.727 . . . . 2.44 112.553 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -136.63 139.42 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.633 . . . . 3.85 110.441 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -74.76 118.15 17.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 3.72 110.396 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.23 -178.4 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 1.66 110.533 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -132.91 158.97 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.661 -0.7 . . . . 1.54 110.246 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.4 mt -134.53 130.5 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.465 -0.789 . . . . 2.16 109.562 179.234 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 41.7 m-85 -109.72 148.18 31.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 1.49 110.988 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -126.33 140.61 52.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.368 -0.833 . . . . 3.38 109.91 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -100.93 -170.13 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.416 -0.811 . . . . 2.04 110.132 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -3.76 57.65 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.132 -0.485 . . . . 3.6 111.426 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.23 20.97 8.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.732 -0.387 . . . . 3.0 111.252 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.56 32.02 21.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.046 0.451 . . . . 2.86 110.933 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -115.1 146.05 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 3.77 110.324 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.9 145.69 43.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.976 -0.556 . . . . 2.28 110.491 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.6 mm -135.65 156.4 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.61 -0.723 . . . . 2.53 110.058 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.5 m -90.26 151.37 21.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.881 -0.6 . . . . 1.82 110.38 179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -155.77 148.91 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.817 -0.629 . . . . 1.47 110.778 -179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -96.29 147.23 32.64 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.637 -0.71 . . . . 2.22 109.86 179.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -81.12 6.81 5.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.628 1.552 . . . . 1.21 113.613 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -110.23 18.95 19.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.809 -0.357 . . . . 3.76 111.023 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -100.67 170.0 8.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.08 0.467 . . . . 2.7 110.381 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.23 -44.43 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 4.13 110.522 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 65.2 p-90 -73.4 -30.09 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 1.41 110.278 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 58.8 t -72.66 -40.18 61.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.42 109.324 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.3 -40.9 86.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 2.72 109.621 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -33.51 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 1.87 109.182 178.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.9 m -68.2 -52.44 34.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.368 -0.833 . . . . 1.21 110.524 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -34.66 78.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 2.25 110.291 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -71.76 -36.97 70.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.401 0.62 . . . . 3.17 109.566 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 51.1 t80 -64.98 -51.9 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.247 -0.888 . . . . 1.93 109.595 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.3 mt -64.44 -40.65 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.657 -0.702 . . . . 1.83 110.122 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.45 -34.28 73.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 1.95 109.915 179.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -90.53 14.6 12.69 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.491 -0.777 . . . . 3.38 111.485 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -29.66 53.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.981 0.42 . . . . 4.52 111.08 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.73 164.6 9.39 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.017 -0.538 . . . . 3.01 110.386 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.72 130.81 6.94 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 121.822 1.681 . . . . 4.86 112.588 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -157.15 147.95 16.36 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.827 -0.624 . . . . 5.56 110.368 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -82.57 132.86 6.9 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.749 1.633 . . . . 8.11 112.57 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 63.46 146.79 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.852 -0.613 . . . . 12.09 110.323 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.475 0.423 0 C-N-CA 121.761 1.641 . . . . 11.26 112.53 -179.916 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.524 -1.43 . . . . 13.84 109.524 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.11 -41.37 0.12 Allowed 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 121.886 1.724 . . . . 13.34 112.635 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.82 95.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.835 -0.62 . . . . 10.68 110.507 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -158.24 74.27 0.7 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.791 -0.641 . . . . 8.48 110.308 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.469 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.6 t -87.43 -45.2 0.51 Allowed Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 115.708 -0.678 . . . . 6.62 111.788 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.4 Cg_endo -79.28 146.83 20.04 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.247 1.298 . . . . 5.86 112.793 -179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.42 134.82 10.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.809 -0.632 . . . . 5.03 110.349 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.3 m 69.52 -67.32 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.753 -0.658 . . . . 4.32 110.614 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.45 -174.74 2.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 2.4 110.144 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.91 163.54 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 2.06 110.694 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -138.24 -47.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 3.02 110.286 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -80.04 78.3 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.719 -0.673 . . . . 3.69 110.286 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 mt -60.74 143.35 54.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.662 -0.699 . . . . 1.94 110.577 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 139.31 57.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.636 . . . . 1.93 110.685 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.6 -33.71 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 3.36 110.241 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -81.18 129.42 34.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.761 -0.654 . . . . 4.77 110.294 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -60.51 135.44 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 3.52 110.713 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 66.0 mt -90.0 140.24 27.54 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.752 -0.658 . . . . 1.78 109.901 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -78.33 156.65 29.26 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.464 1.442 . . . . 1.73 113.06 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.6 mt -80.86 -43.36 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.287 -0.87 . . . . 1.72 111.201 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -57.16 -29.91 64.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 2.62 111.143 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -93.56 -9.37 38.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 4.6 111.606 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.69 148.48 40.52 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.494 0.664 . . . . 1.66 111.3 -179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -122.69 -41.78 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.094 -0.957 . . . . 3.03 110.226 179.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -179.66 150.72 0.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.857 -0.611 . . . . 2.25 109.991 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 8.6 p90 -115.97 172.1 7.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.11 0.481 . . . . 2.53 110.655 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -154.77 142.82 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 4.06 110.485 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.89 141.67 47.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 3.03 110.403 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.2 mt -120.86 144.36 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.48 -0.782 . . . . 2.17 110.302 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -169.55 34.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 2.73 110.345 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -172.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 3.81 110.523 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -29.49 8.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.995 -0.842 . . . . 2.97 110.995 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.85 71.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.47 . . . . 5.7 110.415 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.9 151.77 95.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.787 -0.642 . . . . 2.17 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.43 -36.96 0.24 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.926 1.751 . . . . 2.44 112.538 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -134.12 175.11 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.608 -0.724 . . . . 3.85 110.246 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -119.77 152.66 36.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 3.72 110.579 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.78 -174.47 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.786 -0.643 . . . . 1.66 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.83 158.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.366 0.603 . . . . 1.54 110.301 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.2 mp -135.76 129.83 48.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.285 -0.871 . . . . 2.16 109.637 179.381 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' CD1' ' CB ' ' A' ' 26' ' ' TYR . 57.3 m-85 -106.74 146.78 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 1.49 110.981 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -122.01 129.09 52.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 3.38 109.869 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -89.8 -173.41 3.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 2.04 110.029 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -97.24 30.92 2.62 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.322 -0.399 . . . . 3.6 110.759 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.56 23.06 6.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 3.0 110.685 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 42.13 11.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.229 0.537 . . . . 2.86 110.338 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -135.57 151.31 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 3.77 110.543 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -126.18 153.16 45.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.801 -0.636 . . . . 2.28 110.132 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 49' ' ' ILE . 55.7 mt -139.36 159.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 2.53 110.349 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.1 m -93.87 148.35 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 1.82 110.142 179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -153.4 153.37 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.233 0.539 . . . . 1.47 111.023 -179.615 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -99.2 145.72 30.49 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.504 -0.771 . . . . 2.22 109.805 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -79.76 3.41 7.58 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 121.539 1.493 . . . . 1.21 113.521 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -110.38 23.07 14.74 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.632 -0.427 . . . . 3.76 111.049 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -100.5 170.12 8.61 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.103 0.478 . . . . 2.7 110.35 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -29.77 20.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.947 -0.569 . . . . 4.13 110.692 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.2 p-90 -88.17 -28.9 20.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 120.508 -0.477 . . . . 1.41 110.094 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 58.0 t -72.32 -45.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.041 -0.527 . . . . 1.42 109.61 179.153 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 2.72 109.701 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -34.09 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.616 -0.72 . . . . 1.87 109.064 178.428 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -66.99 -55.34 14.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.39 -0.823 . . . . 1.21 110.398 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -33.31 74.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.097 -0.501 . . . . 2.25 110.176 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -69.35 -39.39 78.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.424 0.63 . . . . 3.17 109.582 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 39.6 t80 -63.46 -53.83 45.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.126 -0.943 . . . . 1.93 109.537 179.288 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.61 -40.33 96.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.787 . . . . 1.83 110.151 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.43 -35.37 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.34 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.75 -51.36 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.815 -0.63 . . . . 3.38 110.515 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -61.66 -37.71 85.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.625 -0.716 . . . . 4.52 110.553 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -90.04 150.95 44.46 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.706 -0.679 . . . . 3.01 110.501 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.84 131.6 6.17 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.812 1.675 . . . . 4.86 112.488 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.587 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 10.9 t -77.69 -27.69 0.58 Allowed Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.411 0.893 . . . . 5.56 113.411 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 71' ' ' THR . 41.2 Cg_endo -81.84 -171.53 1.22 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 120.694 1.284 . . . . 8.11 112.495 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 60.24 88.87 0.11 Allowed Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.787 -0.642 . . . . 12.09 110.504 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.408 0 C-N-CA 121.883 1.722 . . . . 11.26 112.582 179.96 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.551 -1.419 . . . . 13.84 109.551 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.8 56.83 6.05 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 121.768 1.645 . . . . 13.34 112.57 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.75 173.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 10.68 110.58 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -69.57 -177.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.837 -0.62 . . . . 8.48 110.427 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.84 139.76 85.93 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.865 -0.607 . . . . 6.62 110.007 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.02 85.66 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.611 1.54 . . . . 5.86 112.648 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -113.93 32.86 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.76 -0.655 . . . . 5.03 110.401 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -154.71 170.01 22.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.751 -0.659 . . . . 4.32 110.352 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 m -106.84 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.897 -0.592 . . . . 2.4 109.768 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -133.94 152.1 51.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.238 0.542 . . . . 2.06 110.735 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 35' ' ' PRO . 47.1 m-85 -129.76 -46.77 1.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.672 -0.695 . . . . 3.02 110.364 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -73.89 90.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 3.69 110.55 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 mt -82.44 143.06 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.406 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.11 155.3 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.867 -0.606 . . . . 1.93 110.632 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.05 -40.73 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.746 -0.661 . . . . 3.36 110.269 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -64.24 165.2 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.649 -0.705 . . . . 4.77 110.4 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.6 mtmt -100.09 123.68 44.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 3.52 110.314 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.5 mt -89.95 140.11 27.6 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.766 -0.652 . . . . 1.78 110.03 -179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.99 159.47 24.04 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.611 1.541 . . . . 1.73 112.88 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 64' ' ' TYR . 43.3 mt -80.8 -43.49 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.389 -0.823 . . . . 1.72 111.106 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.47 -30.06 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 2.62 111.148 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -90.35 -13.36 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 4.6 111.366 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -69.58 142.13 53.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.283 0.563 . . . . 1.66 111.062 -179.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.36 -0.836 . . . . 3.03 109.893 179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 p -169.79 -178.79 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.658 . . . . 2.25 109.77 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 65' ' ' LEU . 1.2 p90 -152.74 146.31 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 2.53 110.928 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -123.31 118.58 27.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.358 -0.837 . . . . 4.06 110.263 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -86.64 148.67 25.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 3.03 110.847 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mm -93.31 -153.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.564 -0.902 . . . . 2.17 108.564 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 m 78.52 43.69 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.605 0.717 . . . . 2.73 109.666 -179.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -59.77 -160.16 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.993 -1.003 . . . . 3.81 110.413 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.88 -33.67 3.65 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.517 -0.311 . . . . 2.97 112.495 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.58 67.27 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.131 -0.628 . . . . 5.7 111.6 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.58 157.31 82.44 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.439 -0.578 . . . . 2.17 109.439 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 40.4 Cg_endo -81.61 -32.2 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 121.691 1.594 . . . . 2.44 112.559 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -140.2 120.33 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.8 -0.636 . . . . 3.85 110.556 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -63.21 154.81 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 3.72 110.04 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 -171.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.136 0.493 . . . . 1.66 110.85 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -145.3 160.32 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 1.54 109.755 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.3 mt -131.33 135.86 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 2.16 109.771 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 45.9 m-85 -113.22 156.92 22.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.328 0.585 . . . . 1.49 110.851 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -136.27 130.86 33.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.362 -0.836 . . . . 3.38 109.676 179.426 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -93.53 -163.44 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.7 -0.682 . . . . 2.04 109.863 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 28.55 2.81 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.893 0.378 . . . . 3.6 111.014 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.29 19.44 9.8 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.302 -0.408 . . . . 3.0 110.957 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.9 33.94 21.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.08 0.467 . . . . 2.86 110.569 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -122.94 142.68 50.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 3.77 110.597 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.01 140.85 48.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.815 -0.63 . . . . 2.28 110.416 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.9 mm -135.01 135.51 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 2.53 110.21 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -73.78 155.54 38.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.141 0.496 . . . . 1.82 110.452 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.11 147.99 27.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.747 -0.661 . . . . 1.47 110.856 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -89.89 145.72 33.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.684 -0.689 . . . . 2.22 109.441 179.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.63 4.58 6.55 Favored 'Trans proline' 0 N--CA 1.476 0.461 0 C-N-CA 121.529 1.486 . . . . 1.21 113.72 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -110.19 21.46 16.72 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.703 -0.399 . . . . 3.76 110.907 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.43 165.06 11.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.046 0.45 . . . . 2.7 110.347 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -80.54 -44.7 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 4.13 110.562 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' A' ' 17' ' ' LYS . 64.1 p-90 -75.8 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 1.41 110.256 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 46.9 t -74.76 -40.49 46.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.725 -0.472 . . . . 1.42 109.725 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 2.72 109.721 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.7 -33.23 64.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.544 -0.753 . . . . 1.87 109.321 178.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.6 m -69.07 -49.35 58.11 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.467 -0.788 . . . . 1.21 110.628 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -68.02 -36.48 80.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 2.25 110.087 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -71.06 -36.09 72.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.374 0.607 . . . . 3.17 109.603 179.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CD2' HD21 ' A' ' 20' ' ' LEU . 31.6 t80 -63.61 -51.29 65.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.171 -0.922 . . . . 1.93 109.788 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 59.2 mt -66.38 -42.13 88.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.83 110.102 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.15 -32.01 72.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.35 -0.841 . . . . 1.95 110.257 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.42 -48.66 78.7 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 3.38 110.383 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -78.87 -64.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.604 -0.725 . . . . 4.52 110.424 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -69.88 165.6 40.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.643 -0.708 . . . . 3.01 110.468 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.31 177.18 7.35 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.878 1.719 . . . . 4.86 112.673 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 m -121.14 90.6 47.43 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.732 -0.667 . . . . 5.56 110.427 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.27 -178.32 4.23 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 121.724 1.616 . . . . 8.11 112.635 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.0 mttt 61.84 154.52 0.11 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.773 -0.649 . . . . 12.09 110.459 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.22 -0.377 0 C-N-CA 121.854 1.703 . . . . 11.26 112.622 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.575 -1.41 . . . . 13.84 109.575 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.09 140.52 11.24 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.798 1.665 . . . . 13.34 112.609 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.0 148.27 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.631 . . . . 10.68 110.444 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -120.76 121.04 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.844 -0.616 . . . . 8.48 110.422 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.69 139.66 21.25 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.799 -0.637 . . . . 6.62 110.196 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.77 175.5 8.64 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.716 1.611 . . . . 5.86 112.598 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.8 m -82.84 -40.14 20.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 5.03 110.483 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -177.53 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.801 -0.636 . . . . 4.32 110.283 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.77 -172.92 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 2.4 110.083 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.31 104.68 8.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.969 -0.559 . . . . 2.06 110.318 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.05 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 3.02 110.105 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 60.14 83.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 3.69 110.419 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.43 140.2 56.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.701 -0.681 . . . . 1.94 110.662 -179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.74 132.78 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.633 -0.712 . . . . 1.93 110.431 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 3.36 110.219 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -67.55 169.37 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 4.77 110.21 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -99.81 142.84 30.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.071 -0.714 . . . . 3.52 109.071 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.9 mt -106.63 139.75 20.66 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.647 -0.706 . . . . 1.78 109.748 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -76.6 155.5 35.66 Favored 'Trans proline' 0 N--CA 1.477 0.503 0 C-N-CA 121.382 1.388 . . . . 1.73 113.028 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 54.5 mt -80.86 -49.49 10.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.114 -0.948 . . . . 1.72 111.342 -179.212 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -55.55 -28.36 54.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 2.62 111.504 -179.162 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -89.54 -14.81 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 4.6 111.411 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.48 145.74 49.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.296 0.569 . . . . 1.66 111.105 -179.416 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -117.28 -40.17 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.37 -0.832 . . . . 3.03 110.255 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -178.64 160.42 1.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.871 -0.604 . . . . 2.25 109.929 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 25.6 p90 -123.97 155.78 37.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.153 0.502 . . . . 2.53 110.914 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mmt-85 -135.37 124.88 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 4.06 110.244 179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -105.73 149.47 26.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.872 -0.604 . . . . 3.03 110.557 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 29' ' ' ILE . 55.1 mt -120.28 138.34 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.672 . . . . 2.17 110.275 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.76 30.17 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 2.73 110.519 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -88.21 -173.33 4.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.014 -0.539 . . . . 3.81 110.467 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.68 30.61 10.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.793 -0.923 . . . . 2.97 110.793 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -111.74 -35.73 5.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.061 0.458 . . . . 5.7 110.437 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -86.57 157.24 55.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 2.17 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.38 -26.98 2.45 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 121.848 1.699 . . . . 2.44 112.632 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -145.7 132.39 19.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 3.85 110.467 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -67.33 157.8 33.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 3.72 110.366 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.26 -178.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 1.66 110.483 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -123.85 158.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.794 -0.639 . . . . 1.54 110.238 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -133.38 130.27 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 2.16 109.525 179.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.448 ' CE1' ' CB ' ' A' ' 26' ' ' TYR . 31.0 m-85 -109.41 148.11 31.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 1.49 111.044 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -128.26 139.03 52.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.327 -0.851 . . . . 3.38 109.755 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -99.02 -166.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.341 -0.845 . . . . 2.04 110.034 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -97.31 29.0 3.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 3.6 110.845 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mt -126.29 21.6 7.28 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.186 -0.461 . . . . 3.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.51 42.27 11.54 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.239 0.543 . . . . 2.86 110.483 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -129.78 155.07 46.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.806 -0.634 . . . . 3.77 110.404 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -130.52 147.21 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 2.28 110.383 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.2 mm -136.42 156.61 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 2.53 110.308 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.59 142.2 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.612 . . . . 1.82 110.316 179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -148.77 151.31 34.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.837 -0.62 . . . . 1.47 110.799 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -97.63 147.89 33.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.554 -0.748 . . . . 2.22 109.864 179.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -80.19 4.96 6.36 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 121.609 1.539 . . . . 1.21 113.538 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -109.75 22.01 16.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.732 -0.387 . . . . 3.76 110.815 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -100.51 169.61 8.95 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.079 0.466 . . . . 2.7 110.286 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -40.83 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 4.13 110.755 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.9 p-90 -80.98 -27.57 35.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 1.41 110.527 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG21 ' CZ3' ' A' ' 57' ' ' TRP . 65.0 t -73.89 -42.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.191 -0.67 . . . . 1.42 109.191 178.791 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -62.22 -48.41 80.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.561 -0.745 . . . . 2.72 109.604 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 1.87 109.284 178.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -63.92 -52.49 59.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.331 -0.85 . . . . 1.21 110.093 179.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.4 ttm -60.11 -43.16 95.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.85 -0.614 . . . . 2.25 110.467 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -65.66 -40.25 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.358 0.599 . . . . 3.17 109.751 179.489 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 66.7 t80 -63.92 -51.13 65.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.276 -0.875 . . . . 1.93 109.572 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.52 -40.8 96.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 1.83 110.222 -179.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.96 -35.35 78.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 1.95 110.247 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -82.72 -29.16 30.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.758 -0.656 . . . . 3.38 110.713 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -58.6 -19.76 41.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.923 -0.58 . . . . 4.52 111.498 -179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.9 p -51.28 148.49 8.49 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 121.212 -0.195 . . . . 3.01 111.184 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.56 -165.91 0.36 Allowed 'Trans proline' 0 N--CA 1.476 0.441 0 C-N-CA 121.938 1.759 . . . . 4.86 112.812 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.7 p 52.85 72.47 1.16 Allowed Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.592 -0.731 . . . . 5.56 111.028 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -83.25 117.98 2.56 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.907 1.738 . . . . 8.11 112.474 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 2.4 mtpp 176.09 -55.23 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.954 -0.566 . . . . 12.09 110.433 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.409 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.8 Cg_endo . . . . . 0 C--N 1.349 0.561 0 C-N-CA 121.522 1.481 . . . . 11.26 112.589 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.509 -1.436 . . . . 13.84 109.509 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.28 104.38 1.36 Allowed 'Trans proline' 0 N--CA 1.475 0.389 0 C-N-CA 121.937 1.758 . . . . 13.34 112.547 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.31 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.581 . . . . 10.68 110.494 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -135.77 34.94 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.941 -0.572 . . . . 8.48 110.431 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.0 150.5 78.14 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.826 -0.625 . . . . 6.62 110.552 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.97 178.99 5.53 Favored 'Trans proline' 0 N--CA 1.475 0.403 0 C-N-CA 121.854 1.702 . . . . 5.86 112.563 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.9 t 41.19 59.79 2.22 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.65 -0.704 . . . . 5.03 112.032 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -61.48 122.41 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 4.32 110.444 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -126.86 -172.33 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.584 . . . . 2.4 110.192 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.85 105.11 13.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 2.06 110.364 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -107.12 32.9 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.621 . . . . 3.02 110.388 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -161.34 81.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 3.69 110.525 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.2 mt -61.35 140.09 58.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.826 -0.624 . . . . 1.94 110.409 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 127.89 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 1.93 110.497 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -91.33 -33.47 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 3.36 110.183 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -66.41 162.0 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.781 -0.645 . . . . 4.77 110.093 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -95.3 136.89 35.09 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.127 -0.694 . . . . 3.52 109.127 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.9 mt -104.83 139.92 20.57 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.549 -0.75 . . . . 1.78 109.765 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -77.59 154.03 30.75 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.332 1.355 . . . . 1.73 113.185 -179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 64' ' ' TYR . 76.3 mt -80.82 -43.12 20.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.077 -0.965 . . . . 1.72 111.126 -179.525 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -57.54 -29.92 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.651 . . . . 2.62 111.207 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -90.31 -13.57 34.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 4.6 111.348 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.53 146.34 53.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.343 0.592 . . . . 1.66 111.142 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.5 -41.64 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.266 -0.879 . . . . 3.03 110.158 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t 179.71 149.5 0.31 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.794 -0.639 . . . . 2.25 109.999 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -111.88 155.63 23.33 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.547 -0.461 . . . . 2.53 110.704 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -128.04 101.35 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 4.06 110.468 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -77.65 146.88 35.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 3.03 110.387 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 HG23 HD11 ' A' ' 29' ' ' ILE . 43.6 mt -116.11 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.623 -0.717 . . . . 2.17 110.332 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t 178.81 39.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 2.73 110.376 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -80.95 -56.15 4.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 3.81 110.622 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.75 -24.81 1.48 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.037 -0.825 . . . . 2.97 111.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -69.46 -28.85 66.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.921 0.391 . . . . 5.7 110.703 -179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.81 157.9 71.24 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.229 -0.441 . . . . 2.17 110.293 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -81.66 -25.64 3.56 Favored 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 121.876 1.718 . . . . 2.44 112.758 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -143.52 151.08 39.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 3.85 110.471 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -82.79 148.38 27.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 3.72 110.41 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.81 -177.32 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 1.66 110.42 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.16 158.49 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 1.54 110.516 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.5 mt -131.28 139.06 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.267 -0.879 . . . . 2.16 109.51 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 29.5 m-85 -118.27 146.95 43.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.335 0.588 . . . . 1.49 111.029 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -127.9 140.0 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 3.38 109.819 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 p -104.01 -166.67 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.312 -0.858 . . . . 2.04 109.96 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -97.79 29.11 3.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.964 0.412 . . . . 3.6 110.605 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.69 20.51 10.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.122 -0.49 . . . . 3.0 110.924 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.87 42.03 13.65 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.221 0.534 . . . . 2.86 110.622 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -135.96 160.59 38.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 3.77 110.358 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -134.77 154.62 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.492 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 49' ' ' ILE . 54.9 mt -142.09 159.57 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 2.53 110.308 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 67.2 m -95.9 139.44 32.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 1.82 110.324 179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.45 145.72 41.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 1.47 110.623 -179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -90.37 150.93 43.82 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.755 -0.657 . . . . 2.22 110.236 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.56 6.49 5.6 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 121.781 1.654 . . . . 1.21 113.571 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -110.21 19.89 18.42 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.566 -0.454 . . . . 3.76 111.217 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.6 mmtm -100.6 162.38 12.97 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.079 0.466 . . . . 2.7 110.4 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -82.63 -37.25 25.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.851 -0.613 . . . . 4.13 110.55 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CE2' HG22 ' A' ' 58' ' ' VAL . 66.0 p-90 -81.23 -30.37 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 1.41 110.247 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG22 ' CE2' ' A' ' 57' ' ' TRP . 93.9 t -70.59 -45.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 109.327 -0.62 . . . . 1.42 109.327 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.13 -46.84 88.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 2.72 109.736 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.48 -33.08 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.428 -0.806 . . . . 1.87 109.205 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.7 m -65.06 -54.64 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.403 -0.817 . . . . 1.21 110.457 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.2 ptp -61.45 -38.25 86.5 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.526 -0.47 . . . . 2.25 110.599 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -70.77 -37.84 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.365 0.602 . . . . 3.17 109.878 179.52 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' CD2' HD21 ' A' ' 20' ' ' LEU . 60.7 t80 -66.58 -49.05 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 1.93 109.661 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.5 mt -65.75 -40.58 92.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 1.83 110.145 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.35 -35.89 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.328 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -69.37 -43.9 72.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 3.38 110.404 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.02 19.69 5.48 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.666 -0.697 . . . . 4.52 111.643 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.48 151.17 47.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 120.821 -0.352 . . . . 3.01 110.492 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -82.39 -166.54 0.4 Allowed 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 121.906 1.737 . . . . 4.86 112.569 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 p -107.53 149.96 39.51 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.853 -0.612 . . . . 5.56 110.407 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.23 115.92 2.66 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.857 1.705 . . . . 8.11 112.652 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.78 152.04 1.04 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.601 . . . . 12.09 110.438 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.877 1.718 . . . . 11.26 112.546 -179.958 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.577 -1.409 . . . . 13.84 109.577 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.51 91.55 1.08 Allowed 'Trans proline' 0 N--CA 1.475 0.416 0 C-N-CA 121.809 1.672 . . . . 13.34 112.558 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.3 -79.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.738 -0.664 . . . . 10.68 110.65 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 t 175.34 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.402 -0.363 . . . . 8.48 110.579 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.54 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 p -92.69 -29.92 0.3 Allowed Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 113.82 1.045 . . . . 6.62 113.82 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 39.3 Cg_endo -79.0 72.23 6.62 Favored 'Trans proline' 0 C--N 1.354 0.852 0 CA-C-N 120.91 1.361 . . . . 5.86 112.581 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -166.98 34.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 5.03 110.527 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -124.62 12.79 8.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.931 -0.577 . . . . 4.32 111.416 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.3 m -107.48 -169.65 1.57 Allowed 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.785 -0.45 . . . . 2.4 109.785 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.8 t -160.43 152.19 19.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.268 0.556 . . . . 2.06 110.715 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -135.8 160.22 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 3.02 110.061 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.17 68.25 0.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.522 0.677 . . . . 3.69 110.218 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.71 145.4 54.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 1.94 110.557 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 145.03 46.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 1.93 110.682 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -105.65 -36.99 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.817 -0.628 . . . . 3.36 110.339 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -68.23 154.73 41.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.781 -0.645 . . . . 4.77 110.207 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' CG ' ' A' ' 57' ' ' TRP . 22.1 mttp -86.32 127.62 34.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 3.52 110.649 -179.875 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 68.3 mt -89.78 140.14 27.85 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.623 -0.717 . . . . 1.78 109.767 179.91 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -76.19 155.95 37.67 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.379 1.386 . . . . 1.73 113.119 -179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 29.4 mt -80.68 -42.84 21.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.131 -0.941 . . . . 1.72 111.24 -179.375 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.55 -29.89 64.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.893 -0.594 . . . . 2.62 111.18 -179.415 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -13.94 39.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 4.6 111.459 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.98 153.33 38.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.564 0.697 . . . . 1.66 111.639 -179.18 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -42.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.755 -1.111 . . . . 3.03 110.179 179.44 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -167.22 177.58 6.08 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.844 -0.616 . . . . 2.25 109.846 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.3 p90 -149.0 158.22 44.02 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.315 -0.554 . . . . 2.53 111.202 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -134.98 119.04 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.521 -0.763 . . . . 4.06 110.186 179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -89.17 150.43 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 3.03 110.703 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.0 mm -111.39 138.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.644 -0.707 . . . . 2.17 110.195 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -159.25 31.01 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.869 -0.605 . . . . 2.73 110.392 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.12 132.03 39.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.842 -0.617 . . . . 3.81 110.528 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.89 -26.27 65.14 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.122 -0.791 . . . . 2.97 111.122 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.71 -35.91 75.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.031 0.443 . . . . 5.7 110.536 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.41 151.09 88.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 2.17 110.312 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -81.43 -27.61 2.68 Favored 'Trans proline' 0 N--CA 1.473 0.288 0 C-N-CA 121.892 1.728 . . . . 2.44 112.497 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -150.37 134.2 16.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.807 -0.633 . . . . 3.85 110.434 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 169.91 1.5 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.743 -0.662 . . . . 3.72 110.399 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.77 -178.16 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.018 -0.537 . . . . 1.66 110.735 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.8 t -140.52 159.01 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.613 -0.721 . . . . 1.54 110.002 179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.95 129.49 47.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.592 -0.731 . . . . 2.16 109.699 179.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 52.0 m-85 -106.79 146.22 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.577 . . . . 1.49 110.968 -179.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -119.57 139.82 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.308 -0.86 . . . . 3.38 109.525 179.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -105.51 -169.34 1.58 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.463 -0.79 . . . . 2.04 110.075 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -98.32 29.45 3.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.244 -0.434 . . . . 3.6 110.862 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -124.72 21.14 8.44 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.157 -0.474 . . . . 3.0 111.05 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 38.52 17.82 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.227 0.537 . . . . 2.86 110.647 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -135.8 142.06 44.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 3.77 110.482 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -117.46 146.62 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.491 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.4 mm -135.3 154.8 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.641 . . . . 2.53 110.123 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.0 m -92.47 156.24 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.82 110.283 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -154.34 151.7 29.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.798 -0.637 . . . . 1.47 111.001 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -89.73 139.62 27.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.493 -0.776 . . . . 2.22 109.697 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.66 2.14 8.12 Favored 'Trans proline' 0 N--CA 1.476 0.494 0 C-N-CA 121.446 1.431 . . . . 1.21 113.775 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -110.09 24.32 13.17 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.665 -0.414 . . . . 3.76 110.758 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.57 169.29 9.16 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.009 0.433 . . . . 2.7 110.209 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -85.07 -36.79 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.592 . . . . 4.13 110.69 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.43 ' CH2' ' HB3' ' A' ' 51' ' ' ALA . 67.2 p-90 -83.95 -29.81 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 1.41 110.321 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.414 HG21 ' CH2' ' A' ' 57' ' ' TRP . 58.9 t -71.04 -46.24 68.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.288 -0.634 . . . . 1.42 109.288 178.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.72 -47.41 86.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.743 -0.662 . . . . 2.72 109.715 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -32.84 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.402 -0.817 . . . . 1.87 109.158 178.463 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.8 m -65.75 -54.21 30.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.455 -0.793 . . . . 1.21 110.432 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 ptm -61.5 -36.55 80.82 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.509 -0.476 . . . . 2.25 110.406 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -69.88 -34.15 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.332 0.587 . . . . 3.17 109.784 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 41.6 t80 -62.22 -51.95 65.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.347 -0.842 . . . . 1.93 110.1 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 26' ' ' TYR . 47.7 mt -63.88 -43.28 96.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.83 110.356 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.26 -33.15 71.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.637 -0.71 . . . . 1.95 109.774 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 15.05 11.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.605 -0.725 . . . . 3.38 111.538 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.0 -28.19 6.56 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.963 0.411 . . . . 4.52 111.244 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -62.06 151.07 81.87 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.048 -0.524 . . . . 3.01 110.355 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.93 171.05 13.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 121.807 1.671 . . . . 4.86 112.57 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.73 144.2 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.708 -0.678 . . . . 5.56 110.381 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -83.14 100.18 0.92 Allowed 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.835 1.69 . . . . 8.11 112.498 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.14 89.09 34.14 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.002 -0.544 . . . . 12.09 110.565 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 121.7 1.6 . . . . 11.26 112.542 179.969 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.553 -1.419 . . . . 13.84 109.553 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.04 142.89 12.58 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.921 1.747 . . . . 13.34 112.536 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.91 -44.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.821 -0.627 . . . . 10.68 110.444 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.0 p -64.56 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 8.48 110.436 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t 50.37 82.53 0.24 Allowed Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.922 -0.581 . . . . 6.62 111.297 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.82 122.74 3.97 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 121.817 1.678 . . . . 5.86 112.567 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.17 164.04 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.828 -0.624 . . . . 5.03 110.449 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 m -87.58 -56.66 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 4.32 110.314 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 59.4 m -79.6 -24.03 42.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.763 . . . . 2.4 110.95 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m 65.42 129.93 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.053 0.454 . . . . 2.06 110.293 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -121.0 -22.23 6.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.89 -0.595 . . . . 3.02 112.103 -179.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -117.11 16.3 14.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.088 -0.645 . . . . 3.69 112.694 -179.296 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 37.39 -160.04 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 O-C-N 123.455 0.472 . . . . 1.94 112.159 177.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.31 143.83 51.16 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.106 0.479 . . . . 1.93 110.465 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.81 -34.63 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 3.36 110.327 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 118.93 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 4.77 110.247 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -60.17 151.44 27.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 3.52 110.739 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.1 mt -110.94 140.02 22.31 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.642 -0.708 . . . . 1.78 109.927 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.19 159.71 26.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.475 1.45 . . . . 1.73 112.696 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 28.3 mt -80.48 -39.77 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.506 -0.77 . . . . 1.72 111.048 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.91 -30.32 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 2.62 110.893 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -92.25 -11.27 35.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 4.6 111.507 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.74 138.19 42.55 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 1.66 110.924 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.2 -34.16 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 3.03 110.215 179.435 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.9 p -178.19 -172.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.851 -0.613 . . . . 2.25 110.051 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 62' ' ' MET . 1.0 OUTLIER -154.45 155.68 35.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 2.53 110.508 179.779 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -140.26 111.35 7.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 4.06 110.735 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -82.7 149.21 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.818 -0.628 . . . . 3.03 110.066 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mt -111.16 120.6 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 2.17 110.386 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -165.85 32.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.279 -0.873 . . . . 2.73 110.247 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -81.33 -62.68 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 3.81 110.846 -179.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.04 -24.87 0.61 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.301 -0.72 . . . . 2.97 111.301 -179.671 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -69.29 -32.16 71.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.965 0.412 . . . . 5.7 110.382 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.95 150.71 59.25 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.981 -0.554 . . . . 2.17 110.202 179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.99 -25.39 3.47 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.805 1.67 . . . . 2.44 112.772 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -126.24 145.0 50.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.963 -0.562 . . . . 3.85 110.506 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 92.23 7.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 3.72 110.214 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.02 -177.26 3.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.885 -0.598 . . . . 1.66 110.635 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.74 156.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 1.54 110.192 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.6 mt -132.85 129.92 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.227 -0.897 . . . . 2.16 109.386 179.177 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -106.21 148.01 28.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.39 0.614 . . . . 1.49 111.141 -179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -118.8 124.98 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.328 -0.851 . . . . 3.38 109.676 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 p -89.92 -174.04 4.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 2.04 110.13 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -97.38 29.94 3.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.209 -0.45 . . . . 3.6 110.739 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -124.67 20.96 8.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.111 -0.495 . . . . 3.0 110.926 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 37.55 15.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.005 0.431 . . . . 2.86 110.81 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -138.13 139.77 39.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.222 0.534 . . . . 3.77 110.527 179.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.01 151.05 23.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.655 -0.702 . . . . 2.28 110.445 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 49' ' ' ILE . 53.6 mt -134.38 156.86 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.839 -0.619 . . . . 2.53 110.221 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.0 m -96.2 154.3 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.563 -0.744 . . . . 1.82 110.564 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.07 156.77 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.259 0.552 . . . . 1.47 111.377 -179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -101.46 150.17 37.0 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.543 -0.753 . . . . 2.22 110.23 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -80.28 4.11 7.09 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.646 1.564 . . . . 1.21 113.405 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.51 17.83 20.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.741 -0.384 . . . . 3.76 111.486 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -100.35 155.49 17.77 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.477 -0.489 . . . . 2.7 110.347 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -73.02 -41.61 64.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 4.13 110.834 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.426 ' CE2' HG22 ' A' ' 58' ' ' VAL . 61.5 p-90 -76.28 -29.07 57.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.41 110.657 -179.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG22 ' CE2' ' A' ' 57' ' ' TRP . 67.1 t -75.33 -41.39 43.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.158 -0.682 . . . . 1.42 109.158 178.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.61 -46.74 88.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.56 -0.746 . . . . 2.72 109.912 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.53 -35.79 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.745 . . . . 1.87 109.4 178.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.97 -50.85 66.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.35 -0.841 . . . . 1.21 109.918 179.362 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.426 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 2.2 ttp -62.21 -46.96 86.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.715 -0.675 . . . . 2.25 110.331 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -64.05 -34.73 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.624 . . . . 3.17 109.59 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 34.7 t80 -62.44 -53.51 53.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.339 -0.846 . . . . 1.93 109.851 179.593 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 26' ' ' TYR . 50.3 mt -66.42 -41.7 88.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.76 -0.654 . . . . 1.83 110.006 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.21 -32.24 72.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.293 -0.867 . . . . 1.95 110.201 179.419 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -77.2 -47.83 19.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.889 -0.596 . . . . 3.38 110.488 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 22.31 4.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.643 -0.708 . . . . 4.52 111.649 -179.865 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -57.53 110.59 2.59 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 121.037 -0.265 . . . . 3.01 110.698 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.44 173.98 10.19 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.601 1.534 . . . . 4.86 112.621 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -86.07 -51.88 0.47 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.88 -0.6 . . . . 5.56 110.615 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.2 Cg_endo -81.95 125.64 4.82 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.674 1.582 . . . . 8.11 112.609 -179.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 tttp 60.29 85.25 0.18 Allowed Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.818 -0.628 . . . . 12.09 110.494 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 121.878 1.719 . . . . 11.26 112.593 179.961 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 13.84 109.542 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.22 -41.86 0.11 Allowed 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 121.867 1.711 . . . . 13.34 112.639 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.84 138.95 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.853 -0.612 . . . . 10.68 110.464 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.9 t -64.71 -52.14 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 8.48 110.351 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' HB ' ' HD3' ' A' ' 6' ' ' PRO . 4.4 t -155.41 -66.87 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 115.942 -0.572 . . . . 6.62 109.953 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HB ' ' A' ' 5' ' ' VAL . 37.6 Cg_endo -72.28 -80.78 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 121.055 1.17 . . . . 5.86 112.733 179.319 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -165.71 -53.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 5.03 110.353 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -69.4 -162.44 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.724 -0.671 . . . . 4.32 110.644 -179.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.1 m -79.23 165.21 23.5 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.003 0.43 . . . . 2.4 110.412 -179.57 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.04 113.37 2.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 2.06 110.83 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -112.72 -36.28 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.734 -0.666 . . . . 3.02 110.403 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.15 94.8 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 3.69 110.309 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.42 140.33 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 1.94 110.402 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.38 35.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 1.93 110.425 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.01 -31.85 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.765 -0.652 . . . . 3.36 110.406 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -70.26 121.03 16.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 4.77 110.628 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 1.6 mtpt -58.32 124.42 19.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 3.52 110.45 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.81 139.73 27.75 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.766 -0.652 . . . . 1.78 109.961 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.71 157.06 24.59 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.458 1.438 . . . . 1.73 112.924 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD23 ' CG ' ' A' ' 64' ' ' TYR . 31.5 mt -80.88 -43.91 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 1.72 111.187 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.28 -28.94 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.795 -0.639 . . . . 2.62 111.239 -179.291 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -91.32 -12.35 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 4.6 111.517 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.59 145.12 47.59 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.344 0.592 . . . . 1.66 111.015 -179.461 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -116.57 -40.81 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 3.03 110.094 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.03 175.53 2.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.717 -0.674 . . . . 2.25 109.809 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.427 ' CD1' HD11 ' A' ' 65' ' ' LEU . 1.6 p90 -143.75 156.16 44.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.353 -0.539 . . . . 2.53 110.917 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -130.91 116.24 17.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.564 -0.744 . . . . 4.06 110.021 179.682 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -88.34 143.94 26.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.398 0.618 . . . . 3.03 110.782 -179.59 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.8 mt -105.89 -153.81 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.182 -0.917 . . . . 2.17 108.614 179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p 78.14 35.44 0.26 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.274 0.559 . . . . 2.73 110.099 -179.54 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -109.97 -171.23 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 3.81 110.192 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.44 63.25 3.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.686 -0.965 . . . . 2.97 110.686 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -165.33 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 5.7 110.588 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 m -66.2 152.27 94.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.682 -0.69 . . . . 2.17 110.432 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.17 -57.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.942 1.762 . . . . 2.44 112.716 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -81.88 -177.96 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.7 -0.682 . . . . 3.85 110.444 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.08 136.94 54.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.743 -0.662 . . . . 3.72 110.455 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.58 -173.42 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.883 -0.599 . . . . 1.66 110.615 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -134.33 159.59 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.639 -0.71 . . . . 1.54 109.923 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mp -127.12 136.49 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 2.16 109.849 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 42.6 m-85 -116.87 149.8 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.297 0.57 . . . . 1.49 111.001 -179.298 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.81 141.16 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.394 -0.821 . . . . 3.38 109.945 179.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -104.32 -166.15 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 2.04 110.103 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -97.5 29.42 3.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.851 0.358 . . . . 3.6 110.829 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.46 19.81 8.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.162 -0.472 . . . . 3.0 110.966 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 37.42 19.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.219 0.533 . . . . 2.86 110.609 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -130.49 147.39 52.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 3.77 110.468 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.93 149.23 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 2.28 110.414 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' ILE . 3.0 mp -134.0 162.39 39.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.78 -0.646 . . . . 2.53 110.017 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.1 m -98.39 144.26 27.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.6 -0.727 . . . . 1.82 110.167 179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.05 149.44 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.47 110.806 -179.691 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.64 147.52 33.13 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.697 -0.683 . . . . 2.22 109.773 179.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.87 6.4 5.55 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 121.615 1.544 . . . . 1.21 113.709 -179.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -110.19 19.4 18.95 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.703 -0.399 . . . . 3.76 111.135 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.6 160.92 13.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.06 0.457 . . . . 2.7 110.415 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.41 -32.61 37.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 4.13 110.784 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.47 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 68.1 p-90 -85.51 -26.5 26.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.504 -0.478 . . . . 1.41 110.488 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' CZ3' ' A' ' 57' ' ' TRP . 88.9 t -74.3 -43.98 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.197 -0.668 . . . . 1.42 109.197 178.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.88 -40.56 95.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 2.72 109.553 179.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -33.92 69.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.93 -0.767 . . . . 1.87 108.93 178.311 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -66.17 -54.74 21.69 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.285 -0.87 . . . . 1.21 110.488 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.25 -33.88 75.46 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.433 -0.507 . . . . 2.25 110.136 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.465 0.65 . . . . 3.17 109.387 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.422 ' CG ' HD23 ' A' ' 20' ' ' LEU . 33.1 t80 -60.92 -50.55 72.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.16 -0.927 . . . . 1.93 110.032 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' A' ' 26' ' ' TYR . 75.5 mt -65.74 -41.59 91.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.83 110.534 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -28.64 67.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.454 -0.793 . . . . 1.95 110.348 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -74.56 -46.75 36.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 3.38 111.123 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -60.33 -20.24 58.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 4.52 111.225 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -57.01 151.36 34.43 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 121.005 -0.278 . . . . 3.01 110.798 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.11 -17.67 7.86 Favored 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 121.936 1.757 . . . . 4.86 113.141 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -113.38 89.56 15.17 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.416 -0.356 . . . . 5.56 110.576 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.71 87.71 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 121.799 1.666 . . . . 8.11 112.63 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.0 pttt 41.14 62.06 6.98 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 115.653 -0.703 . . . . 12.09 112.081 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.844 1.696 . . . . 11.26 112.523 179.897 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.519 -1.433 . . . . 13.84 109.519 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -81.72 -60.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 121.832 1.688 . . . . 13.34 112.722 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.32 163.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.921 -0.581 . . . . 10.68 110.521 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 p -63.28 173.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 8.48 110.516 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.88 139.64 57.78 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.921 -0.581 . . . . 6.62 110.069 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.49 120.95 3.29 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.703 1.602 . . . . 5.86 112.676 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.59 77.44 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 5.03 110.244 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.7 -177.98 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 4.32 110.384 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 m -104.99 136.04 45.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.796 -0.638 . . . . 2.4 110.162 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.71 103.62 14.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.578 . . . . 2.06 110.434 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.72 -32.96 11.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.774 -0.648 . . . . 3.02 110.417 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.17 80.67 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.761 -0.654 . . . . 3.69 110.374 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.9 mt -65.52 140.36 58.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.715 -0.675 . . . . 1.94 110.408 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 136.39 52.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 1.93 110.434 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.38 -33.82 9.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.802 -0.635 . . . . 3.36 110.403 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -79.17 131.13 36.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.76 -0.655 . . . . 4.77 110.312 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.7 mtmt -63.83 125.55 24.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 3.52 110.535 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.3 mt -89.88 139.87 27.66 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.625 -0.716 . . . . 1.78 109.866 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.02 157.57 34.32 Favored 'Trans proline' 0 N--CA 1.475 0.439 0 C-N-CA 121.421 1.414 . . . . 1.73 112.988 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 50.6 mt -80.46 -41.45 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 1.72 111.089 -179.374 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -57.87 -30.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 2.62 110.957 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -89.18 -14.39 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 4.6 111.274 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.01 145.92 44.19 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.267 0.556 . . . . 1.66 111.122 -179.535 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -117.05 -39.71 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.419 -0.81 . . . . 3.03 110.382 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.8 p -172.46 -170.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 2.25 110.484 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' CD1' ' CD1' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -153.97 147.5 25.09 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.948 -0.569 . . . . 2.53 110.743 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -130.9 98.88 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.466 -0.788 . . . . 4.06 110.39 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -63.93 148.64 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.849 -0.614 . . . . 3.03 110.481 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mt -114.61 135.44 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.556 -0.747 . . . . 2.17 110.16 179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -178.12 38.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.596 . . . . 2.73 110.365 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 t -61.28 -31.84 71.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 3.81 110.651 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.47 -28.46 7.84 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.988 -0.845 . . . . 2.97 110.988 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.75 -32.45 70.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.007 0.432 . . . . 5.7 110.581 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.45 154.06 95.22 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.901 -0.59 . . . . 2.17 110.394 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.97 -27.25 2.56 Favored 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 121.846 1.697 . . . . 2.44 112.66 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.46 130.69 26.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 3.85 110.621 -179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 154.54 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 3.72 110.308 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.49 -178.06 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 1.66 110.572 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.9 t -135.92 158.11 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.704 -0.68 . . . . 1.54 110.33 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.4 mt -126.71 129.26 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.324 -0.853 . . . . 2.16 109.631 179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CE2' ' CB ' ' A' ' 61' ' ' SER . 14.7 m-30 -112.52 147.07 37.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.439 0.637 . . . . 1.49 111.019 -179.456 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -122.09 138.1 54.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.194 -0.912 . . . . 3.38 109.358 178.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -98.46 -165.37 1.24 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.39 -0.823 . . . . 2.04 109.891 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.85 29.12 3.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.393 . . . . 3.6 110.723 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mt -122.31 19.86 10.56 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.106 -0.497 . . . . 3.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 38.14 19.64 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.115 0.484 . . . . 2.86 110.681 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -135.7 147.51 48.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 3.77 110.444 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.26 154.04 28.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.619 -0.719 . . . . 2.28 110.29 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.454 HG22 HD11 ' A' ' 49' ' ' ILE . 55.5 mt -141.72 159.18 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 2.53 110.306 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 85.7 m -90.24 144.58 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 1.82 110.086 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.86 137.79 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.47 110.763 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -90.73 151.05 43.35 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.107 179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.41 5.87 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 121.694 1.596 . . . . 1.21 113.422 -179.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.17 18.99 19.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.582 -0.447 . . . . 3.76 111.259 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -100.59 152.96 19.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.034 0.445 . . . . 2.7 110.261 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -71.54 -42.87 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 4.13 110.56 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 58' ' ' VAL . 64.3 p-90 -76.02 -26.4 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.909 -0.587 . . . . 1.41 110.558 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG11 ' CZ ' ' A' ' 41' ' ' PHE . 57.6 t -79.5 -40.41 21.46 Favored 'Isoleucine or valine' 0 C--O 1.23 0.044 0 N-CA-C 109.378 -0.601 . . . . 1.42 109.378 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.94 -40.92 99.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.407 0.623 . . . . 2.72 109.665 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.72 -32.89 68.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 1.87 109.354 178.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 2.0 m -67.47 -49.86 61.67 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.529 -0.76 . . . . 1.21 110.53 179.628 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 ptm -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.1 -0.5 . . . . 2.25 110.111 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -71.6 -37.93 70.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.452 0.644 . . . . 3.17 109.404 179.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 21.9 t80 -63.44 -48.12 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.125 -0.943 . . . . 1.93 109.547 179.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 98.2 mt -66.54 -44.1 83.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.612 -0.722 . . . . 1.83 110.116 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.98 -33.51 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 1.95 109.988 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -61.85 -26.61 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.739 -0.664 . . . . 3.38 110.765 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -55.32 -30.36 60.07 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.01 0.433 . . . . 4.52 110.98 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -77.11 165.1 54.71 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.947 -0.57 . . . . 3.01 110.398 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.79 97.63 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.937 1.758 . . . . 4.86 112.564 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.93 87.35 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 5.56 110.457 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.24 106.0 1.52 Allowed 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 121.927 1.752 . . . . 8.11 112.601 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -109.84 159.94 29.86 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.865 -0.607 . . . . 12.09 110.433 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.221 -0.351 0 C-N-CA 121.833 1.689 . . . . 11.26 112.655 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.542 -1.423 . . . . 13.84 109.542 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.17 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.476 0.442 0 C-N-CA 121.835 1.69 . . . . 13.34 112.557 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.32 104.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 10.68 110.397 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -126.83 84.31 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.797 -0.638 . . . . 8.48 110.405 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.1 m -113.12 89.22 13.66 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.81 -0.632 . . . . 6.62 110.515 -179.792 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.9 79.68 3.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 121.902 1.735 . . . . 5.86 112.514 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.33 32.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 5.03 110.489 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.2 m -62.03 154.37 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.84 -0.618 . . . . 4.32 110.363 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -93.0 -79.07 0.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.838 -0.619 . . . . 2.4 110.346 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 14.8 t -179.12 141.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.499 . . . . 2.06 110.12 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 10' ' ' CYS . 33.7 m-85 -137.91 36.29 2.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 3.02 110.242 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -154.2 62.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 3.69 109.826 179.69 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.51 144.36 42.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.472 -0.785 . . . . 1.94 110.904 -179.692 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.83 142.75 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.699 -0.682 . . . . 1.93 110.579 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -105.05 -35.99 7.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 3.36 110.272 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -82.48 124.35 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.732 -0.667 . . . . 4.77 110.281 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -58.83 130.86 48.98 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.857 -0.61 . . . . 3.52 110.876 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 HG23 HD11 ' A' ' 18' ' ' ILE . 63.6 mt -89.81 139.92 27.78 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.634 -0.712 . . . . 1.78 109.825 179.884 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -77.66 159.11 31.91 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.343 1.362 . . . . 1.73 112.979 -179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 27.3 mt -80.39 -39.25 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.398 -0.819 . . . . 1.72 110.997 -179.515 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -59.05 -30.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 2.62 110.898 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -92.14 -11.38 35.78 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.888 -0.597 . . . . 4.6 111.404 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.73 146.17 36.1 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.411 0.624 . . . . 1.66 111.222 -179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.35 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.191 -0.913 . . . . 3.03 110.064 179.156 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -177.74 178.38 1.0 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.768 -0.651 . . . . 2.25 109.792 179.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 62' ' ' MET . 7.8 p90 -140.61 160.47 39.94 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.461 -0.496 . . . . 2.53 110.632 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -139.52 101.53 4.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 4.06 110.443 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.81 149.68 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.626 . . . . 3.03 110.195 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.8 mt -112.02 155.49 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.748 -0.66 . . . . 2.17 110.373 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.5 t -175.5 41.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.631 . . . . 2.73 110.213 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.56 164.94 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 3.81 110.691 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.6 -29.51 29.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.964 -0.854 . . . . 2.97 110.964 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -99.08 30.02 3.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.914 0.388 . . . . 5.7 110.584 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.86 148.36 35.72 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.106 -0.497 . . . . 2.17 110.251 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.74 -32.88 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.836 1.691 . . . . 2.44 112.649 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -149.95 146.23 26.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.781 -0.645 . . . . 3.85 110.472 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -76.72 166.65 23.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.746 -0.661 . . . . 3.72 110.236 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.71 -177.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 1.66 110.603 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.4 t -134.03 158.97 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.759 -0.655 . . . . 1.54 110.399 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.8 mt -133.99 130.7 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.427 -0.806 . . . . 2.16 109.957 179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -109.02 154.14 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.27 0.557 . . . . 1.49 111.018 -179.432 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -132.47 128.43 37.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.492 -0.777 . . . . 3.38 109.866 179.29 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -89.73 -166.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 2.04 109.995 -179.72 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -97.52 29.19 3.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 3.6 110.72 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.55 20.82 10.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.238 -0.437 . . . . 3.0 110.967 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.68 36.75 19.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.14 0.495 . . . . 2.86 110.56 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 140.95 49.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.928 -0.578 . . . . 3.77 110.52 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -114.48 149.05 36.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.777 -0.647 . . . . 2.28 110.25 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 HG22 HD11 ' A' ' 49' ' ' ILE . 56.9 mt -137.25 158.77 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.857 -0.61 . . . . 2.53 110.329 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.56 154.48 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.734 -0.666 . . . . 1.82 110.268 179.893 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.0 21.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.47 110.527 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -89.85 144.12 31.14 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.815 -0.63 . . . . 2.22 109.83 179.698 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.19 -0.85 11.09 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.584 1.523 . . . . 1.21 113.544 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -110.3 24.5 12.91 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.654 -0.418 . . . . 3.76 110.98 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 176.04 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.064 0.459 . . . . 2.7 110.431 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -88.16 -53.08 4.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 4.13 110.851 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CE2' HG21 ' A' ' 58' ' ' VAL . 68.1 p-90 -69.48 -27.84 65.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 1.41 110.186 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' CE2' ' A' ' 57' ' ' TRP . 47.8 t -73.99 -38.81 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.122 -0.695 . . . . 1.42 109.122 178.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.16 -47.53 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.608 -0.724 . . . . 2.72 109.356 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.76 -35.25 79.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 1.87 109.315 178.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -64.89 -51.99 58.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.363 -0.835 . . . . 1.21 110.025 179.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 4.0 ttp -62.95 -43.91 97.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.739 -0.664 . . . . 2.25 110.094 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -65.1 -35.77 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 3.17 109.548 179.245 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 30.5 t80 -62.15 -54.68 37.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.282 -0.872 . . . . 1.93 109.832 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.07 -41.24 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.701 -0.681 . . . . 1.83 109.916 179.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.64 -29.55 70.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.291 -0.868 . . . . 1.95 110.132 179.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -90.12 9.58 27.7 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.038 -0.528 . . . . 3.38 111.709 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -72.67 -71.0 0.32 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.171 0.51 . . . . 4.52 110.302 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.425 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -91.12 -54.71 0.27 Allowed Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.663 -0.698 . . . . 3.01 110.785 -179.936 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 40.9 Cg_endo -84.37 136.34 6.54 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 121.573 1.515 . . . . 4.86 112.573 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.516 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 2.8 p -85.22 -39.14 0.62 Allowed Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.014 -0.539 . . . . 5.56 111.966 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.9 Cg_endo -84.24 -175.28 2.12 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 121.223 1.282 . . . . 8.11 112.471 -179.763 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.43 72.23 6.15 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.848 -0.614 . . . . 12.09 110.367 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--O 1.22 -0.384 0 C-N-CA 121.902 1.735 . . . . 11.26 112.6 -179.973 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.559 -1.417 . . . . 13.84 109.559 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.04 -43.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 121.824 1.683 . . . . 13.34 112.637 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.59 89.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 10.68 110.518 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.4 p -115.19 117.86 31.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 8.48 110.512 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -114.85 85.44 11.75 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.887 -0.597 . . . . 6.62 110.319 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.74 -29.32 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 121.825 1.684 . . . . 5.86 112.519 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.1 -176.96 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 5.03 110.397 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -107.31 -27.79 10.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 4.32 110.759 -179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -92.36 175.7 6.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.4 110.38 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -104.99 135.94 45.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.871 -0.604 . . . . 2.06 110.568 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -109.85 -32.69 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.773 -0.648 . . . . 3.02 110.335 179.813 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -83.29 83.2 7.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 3.69 110.128 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.5 mt -66.58 142.42 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.518 -179.748 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.31 157.78 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 1.93 110.589 -179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.865 -0.607 . . . . 3.36 110.302 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -73.58 122.22 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 4.77 110.173 179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -58.85 134.38 56.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 3.52 110.761 -179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.7 mt -89.94 139.9 27.57 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.589 -0.732 . . . . 1.78 109.993 179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.91 159.14 31.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.439 1.426 . . . . 1.73 112.823 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 27.4 mt -80.55 -42.39 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.437 -0.801 . . . . 1.72 111.126 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 2.62 111.071 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -92.12 -12.23 33.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.999 -0.546 . . . . 4.6 111.366 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.1 146.04 43.9 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.395 0.617 . . . . 1.66 111.135 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.47 -41.86 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.195 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 t 179.84 156.04 0.6 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.811 -0.631 . . . . 2.25 109.892 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -118.29 158.71 24.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.062 0.458 . . . . 2.53 110.711 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -132.99 107.44 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 4.06 110.314 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttp85 -87.49 151.22 23.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.866 -0.606 . . . . 3.03 110.549 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -113.61 152.11 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 2.17 110.235 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m -161.95 31.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.786 -0.643 . . . . 2.73 110.472 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -68.15 150.75 47.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 3.81 110.52 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.16 -32.27 63.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.737 -0.945 . . . . 2.97 110.737 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -31.2 68.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 5.7 110.575 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.42 147.94 81.33 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 2.17 110.348 -179.832 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.16 -29.78 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.763 1.642 . . . . 2.44 112.445 179.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -153.78 132.94 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 3.85 110.384 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -65.36 143.43 57.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 3.72 110.608 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.95 -176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.79 -0.641 . . . . 1.66 110.254 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.1 t -133.41 157.84 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.406 0.622 . . . . 1.54 110.693 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.0 mt -134.55 130.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.099 -0.955 . . . . 2.16 109.555 179.283 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -107.88 147.52 30.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.407 0.622 . . . . 1.49 111.053 -179.188 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -128.07 127.26 42.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.264 -0.88 . . . . 3.38 109.625 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -91.08 -167.31 1.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.744 -0.662 . . . . 2.04 110.018 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.55 28.54 3.72 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 3.6 110.701 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -120.86 21.35 11.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.161 -0.472 . . . . 3.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.64 36.01 19.75 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.126 0.489 . . . . 2.86 110.572 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -130.78 152.42 50.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 3.77 110.549 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -123.85 153.48 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.845 -0.616 . . . . 2.28 110.249 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.9 mt -140.42 159.48 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.904 -0.589 . . . . 2.53 110.395 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.2 m -94.54 146.76 23.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 1.82 110.345 179.894 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.21 141.05 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 1.47 110.647 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.2 159.0 30.96 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.801 -0.636 . . . . 2.22 109.926 179.782 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -80.61 7.28 4.91 Favored 'Trans proline' 0 N--CA 1.477 0.511 0 C-N-CA 121.849 1.699 . . . . 1.21 113.757 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.11 10.43 39.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.652 -0.419 . . . . 3.76 111.487 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.47 158.05 16.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.098 0.475 . . . . 2.7 110.449 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -75.83 -48.17 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 4.13 110.732 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.424 ' CE2' HG22 ' A' ' 58' ' ' VAL . 64.7 p-90 -69.23 -28.17 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 1.41 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 HG22 ' CE2' ' A' ' 57' ' ' TRP . 59.4 t -75.46 -38.03 38.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.183 -0.673 . . . . 1.42 109.183 178.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.97 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 2.72 109.517 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.85 -35.6 80.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 1.87 109.322 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -65.59 -50.68 64.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.325 -0.852 . . . . 1.21 110.111 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.17 -41.75 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 2.25 110.229 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -67.41 -40.64 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.357 0.598 . . . . 3.17 109.793 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 59.1 t80 -64.98 -49.41 70.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.272 -0.876 . . . . 1.93 109.481 179.455 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.55 -40.63 89.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.648 -0.706 . . . . 1.83 109.991 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.13 -34.51 73.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 1.95 110.197 179.471 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -54.76 33.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.685 . . . . 3.38 110.328 179.813 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -91.42 21.86 4.29 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.578 -0.737 . . . . 4.52 111.617 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t -77.39 114.6 42.0 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.813 -0.355 . . . . 3.01 110.434 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.32 -24.58 3.67 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 121.576 1.517 . . . . 4.86 112.701 179.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.6 167.2 17.02 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.992 -0.549 . . . . 5.56 110.239 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.57 -166.86 0.43 Allowed 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 121.849 1.7 . . . . 8.11 112.514 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 14.6 mttt -81.4 -58.08 0.51 Allowed Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.125 -0.489 . . . . 12.09 110.699 -179.656 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.2 Cg_endo . . . . . 0 N--CA 1.477 0.54 0 C-N-CA 121.546 1.498 . . . . 11.26 112.505 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.039 0.447 . . . . 2.06 110.59 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -133.81 -47.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.759 -0.655 . . . . 2.43 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.38 93.67 9.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.689 . . . . 3.12 110.287 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 52' ' ' ASP . 42.2 mt -61.04 152.85 26.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 1.94 110.582 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -81.34 139.03 35.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.746 -0.661 . . . . 1.66 110.53 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -101.8 -36.5 8.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 2.95 110.28 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -79.07 119.01 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.741 -0.663 . . . . 4.27 110.305 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -59.04 130.73 48.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 3.18 110.791 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.84 139.52 27.67 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.741 -0.663 . . . . 1.44 109.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.53 160.94 25.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 121.501 1.467 . . . . 1.63 112.766 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.799 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.1 mt -80.45 -40.83 25.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 1.43 111.09 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 2.31 110.906 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -91.31 -12.98 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 4.07 111.332 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.76 143.57 51.17 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.299 0.571 . . . . 1.58 110.903 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.66 -41.31 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.354 -0.839 . . . . 3.03 110.112 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 p -169.43 -179.6 3.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.775 -0.648 . . . . 2.07 109.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.671 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.5 p90 -151.45 154.19 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 1.74 110.563 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.631 ' O ' HD12 ' A' ' 40' ' ' ILE . 12.9 ttm180 -139.44 128.47 23.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 3.6 110.686 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' A' ' 39' ' ' VAL . 2.1 ttp180 -107.87 148.07 30.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.186 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -127.09 140.29 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.767 -0.651 . . . . 1.7 110.489 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -164.62 32.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.712 -0.677 . . . . 2.31 110.316 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -171.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.728 -0.669 . . . . 3.47 110.609 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.19 -9.48 53.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 115.842 -0.617 . . . . 2.68 111.879 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -98.66 29.91 3.51 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-O 121.018 0.437 . . . . 5.35 110.766 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.02 149.5 73.47 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.233 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.77 -28.13 1.8 Allowed 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.907 1.738 . . . . 2.27 112.484 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -136.91 170.76 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 3.28 110.412 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.58 136.02 50.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 3.31 110.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.05 -171.91 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.799 -0.637 . . . . 1.22 110.545 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 28' ' ' ARG . 58.3 t -119.81 159.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.176 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -130.84 130.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 1.73 109.546 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' A' ' 58' ' ' VAL . 48.7 m-85 -107.05 151.09 25.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.266 0.555 . . . . 1.49 110.923 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -128.1 126.96 42.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.46 -0.791 . . . . 2.95 109.672 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.1 p -89.91 -167.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 1.89 110.034 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -97.93 29.1 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 3.19 110.63 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -121.81 20.3 10.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.179 -0.464 . . . . 2.68 110.919 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.51 36.75 19.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.176 0.512 . . . . 2.57 110.632 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -132.67 145.13 50.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.91 -0.587 . . . . 3.49 110.56 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.663 ' O ' HD13 ' A' ' 49' ' ' ILE . 35.2 m-20 -116.06 147.03 41.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 2.28 110.354 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 48' ' ' ASP . 39.3 mm -134.81 152.51 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.896 -0.593 . . . . 2.11 110.387 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.09 152.98 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 1.82 110.219 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.11 137.74 10.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 1.23 110.507 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.703 ' O ' HG11 ' A' ' 58' ' ' VAL . 9.0 p-10 -93.52 153.1 41.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 2.22 109.951 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.52 12.7 2.79 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 121.9 1.733 . . . . 1.21 113.931 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -110.08 16.75 21.64 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.636 -0.426 . . . . 3.39 111.421 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -100.48 171.04 7.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.134 0.492 . . . . 2.31 110.491 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -88.42 -33.02 18.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.499 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.435 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.1 p-90 -86.35 -26.57 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 1.33 110.448 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 52' ' ' ASP . 64.6 t -75.48 -42.53 42.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 109.336 -0.616 . . . . 0.97 109.336 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.85 -47.75 82.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 2.67 109.737 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.33 -35.52 80.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.467 -0.788 . . . . 1.87 109.34 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -64.63 -52.01 59.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.363 -0.835 . . . . 1.05 109.931 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.9 ttm -61.62 -44.79 96.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 1.92 110.238 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -64.44 -35.1 79.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.82 -0.627 . . . . 2.73 109.707 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.799 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.0 t80 -62.8 -53.49 53.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.204 -0.907 . . . . 1.59 109.842 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 26' ' ' TYR . 56.7 mt -65.72 -41.82 91.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 1.67 110.045 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.31 -33.64 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.257 -0.883 . . . . 1.95 110.207 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 3.11 110.569 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.174 0.512 . . . . 2.06 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -108.68 -32.42 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 2.43 110.259 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.05 83.41 5.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.382 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 52' ' ' ASP . 23.5 mt -72.17 140.53 48.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -62.29 137.12 58.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.66 110.534 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.73 -36.39 8.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.794 -0.639 . . . . 2.95 110.352 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -80.78 122.75 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.725 -0.67 . . . . 4.27 110.302 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -60.99 138.04 58.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.829 -0.623 . . . . 3.18 110.65 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -97.58 139.78 21.59 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.799 -0.637 . . . . 1.44 110.01 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.5 159.3 25.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.582 1.521 . . . . 1.63 112.894 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.62 -38.2 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.43 110.937 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -59.3 -31.2 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 2.31 110.836 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -94.4 -10.84 31.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 4.07 111.254 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 20' ' ' LEU . 5.3 mt -70.58 142.63 51.71 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.275 0.56 . . . . 1.58 110.816 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.28 -41.36 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 3.03 109.953 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.32 -179.66 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.668 -0.697 . . . . 2.07 109.879 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.0 p90 -149.77 151.34 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 1.74 110.692 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 106.6 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 3.6 110.406 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 39' ' ' VAL . 61.3 ttp85 -84.46 146.67 27.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.821 -0.627 . . . . 2.51 110.384 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.06 134.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 1.7 110.379 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.5 m -164.1 31.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.427 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 t -74.36 -173.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.943 -0.571 . . . . 3.47 110.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.32 31.57 7.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -114.37 -38.62 4.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.084 0.468 . . . . 5.35 110.526 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.98 150.49 58.67 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.864 -0.607 . . . . 2.1 110.377 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.29 -26.44 2.77 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.814 1.676 . . . . 2.27 112.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -133.3 104.47 6.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.88 -0.6 . . . . 3.28 110.382 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -59.28 145.39 43.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.922 -0.581 . . . . 3.31 110.523 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.43 -178.67 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.228 0.537 . . . . 1.22 110.914 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 28' ' ' ARG . 93.1 t -127.65 156.99 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.428 -0.805 . . . . 1.14 109.998 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' N ' HG12 ' A' ' 39' ' ' VAL . 29.8 mm -124.02 142.43 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 1.73 109.398 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.669 ' CE2' HG13 ' A' ' 58' ' ' VAL . 30.6 m-85 -120.02 147.17 45.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.351 0.596 . . . . 1.49 110.888 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.9 mtmt -124.8 132.03 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.256 -0.884 . . . . 2.95 109.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -99.37 -163.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 1.89 109.889 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -96.31 27.89 3.53 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.457 -0.338 . . . . 3.19 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -121.68 18.91 11.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.346 -0.388 . . . . 2.68 111.066 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.5 32.24 21.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.453 . . . . 2.57 110.632 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -126.44 150.46 48.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 3.49 110.548 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.683 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -116.8 148.47 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.68 -0.691 . . . . 2.28 110.365 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.7 mm -135.78 142.88 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.21 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.8 m -77.43 149.5 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 1.82 110.326 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -155.84 138.14 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.676 . . . . 1.23 110.606 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.9 p-10 -93.0 154.18 41.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 2.22 110.211 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.05 5.85 5.7 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 121.819 1.679 . . . . 1.21 113.657 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -103.42 14.38 31.53 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.718 -0.393 . . . . 3.39 111.287 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mmtt -100.53 154.22 18.73 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.051 0.453 . . . . 2.31 110.291 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -74.48 -34.04 63.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.936 -0.574 . . . . 3.69 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -83.86 -26.48 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.478 -0.489 . . . . 1.33 110.378 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.669 HG13 ' CE2' ' A' ' 41' ' ' PHE . 60.0 t -78.41 -43.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.079 0 N-CA-C 109.699 -0.482 . . . . 0.97 109.699 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -63.49 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 2.67 109.737 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -36.55 64.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.652 -0.704 . . . . 1.87 109.273 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.327 -0.851 . . . . 1.05 109.901 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.96 -47.02 84.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.73 . . . . 1.92 110.225 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -65.66 -35.87 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 2.73 109.763 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 53.3 t80 -64.57 -48.21 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.311 -0.859 . . . . 1.59 109.862 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 77.2 mt -70.56 -42.29 71.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.341 0.591 . . . . 1.67 109.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.14 -22.67 67.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.583 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 116.415 -0.357 . . . . 3.11 111.607 -179.27 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.102 0.477 . . . . 2.06 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.2 164.52 24.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 2.43 110.434 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 60.83 74.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.838 -0.619 . . . . 3.12 110.434 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 51' ' ' ALA . 28.1 mt -64.49 140.26 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.656 -0.702 . . . . 1.94 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 136.47 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.767 -0.651 . . . . 1.66 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -97.55 -33.87 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 2.95 110.227 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -77.46 170.18 17.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.196 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mtmt -100.1 126.99 46.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.506 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.92 139.94 27.61 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.728 -0.669 . . . . 1.44 109.996 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.92 158.84 31.06 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.467 1.445 . . . . 1.63 112.921 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' CD2' ' A' ' 64' ' ' TYR . 49.3 mt -80.45 -40.19 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.402 -0.817 . . . . 1.43 111.096 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.44 -30.75 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 2.31 110.915 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -90.36 -12.61 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 4.07 111.424 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -75.12 147.49 40.5 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.434 0.635 . . . . 1.58 111.077 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -117.87 -40.51 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.167 -0.924 . . . . 3.03 110.012 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.1 p -172.28 -171.2 0.8 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 2.07 109.942 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -153.32 153.97 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 1.74 110.639 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 101.42 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 3.6 110.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.73 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.7 ttt180 -71.87 157.47 37.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.619 . . . . 2.51 110.243 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 40' ' ' ILE . 48.8 mt -129.17 132.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 1.7 110.324 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -171.7 35.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.57 -0.741 . . . . 2.31 110.126 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 t -66.1 -50.67 63.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 3.47 110.553 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.4 -28.44 3.44 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.997 -0.841 . . . . 2.68 110.997 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.69 -32.5 71.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.072 0.463 . . . . 5.35 110.488 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.57 156.98 87.48 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.905 -0.589 . . . . 2.1 110.366 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.4 -27.02 2.97 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.778 1.652 . . . . 2.27 112.688 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 127.4 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 3.28 110.618 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.19 120.65 17.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.741 -0.663 . . . . 3.31 110.229 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.22 -178.91 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 1.22 110.702 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' HG3' ' A' ' 28' ' ' ARG . 45.3 t -121.23 158.59 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 1.14 110.186 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 29' ' ' ILE . 23.6 mt -127.04 131.29 71.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.454 -0.794 . . . . 1.73 109.598 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.689 ' CE2' HG13 ' A' ' 58' ' ' VAL . 27.7 m-85 -111.89 149.58 31.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.258 0.552 . . . . 1.49 111.064 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.1 ttpm? -125.56 138.78 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 2.95 109.631 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -103.85 -172.29 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 1.89 110.392 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -3.55 49.68 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.942 -0.572 . . . . 3.19 111.614 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -94.31 19.25 9.73 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.705 -0.398 . . . . 2.68 111.267 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.73 32.47 22.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.021 0.439 . . . . 2.57 110.866 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -121.57 147.23 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.983 -0.553 . . . . 3.49 110.496 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -112.91 155.12 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 2.28 110.468 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.2 mt -142.09 159.57 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.382 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.6 m -91.91 139.75 30.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.65 . . . . 1.82 110.317 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -144.15 144.37 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.706 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.677 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.2 t0 -89.97 144.97 32.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.795 -0.639 . . . . 2.22 109.865 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.23 0.97 9.58 Favored 'Trans proline' 0 N--CA 1.477 0.51 0 C-N-CA 121.505 1.47 . . . . 1.21 113.55 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 24.11 13.42 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.641 -0.424 . . . . 3.39 110.838 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 58' ' ' VAL . 2.0 ttmt -100.41 169.61 8.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.05 0.452 . . . . 2.31 110.46 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -83.31 -47.66 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.578 . . . . 3.69 110.767 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.461 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.2 p-90 -74.75 -27.45 60.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 1.33 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 ' CE2' ' A' ' 41' ' ' PHE . 47.8 t -75.31 -41.55 43.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 109.245 -0.65 . . . . 0.97 109.245 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.23 -47.01 86.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.636 -0.711 . . . . 2.67 109.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -32.83 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.453 -0.794 . . . . 1.87 109.19 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -65.71 -52.81 48.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.438 -0.801 . . . . 1.05 110.474 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 ptm -63.27 -39.76 95.5 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.403 -0.519 . . . . 1.92 110.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -68.79 -36.23 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.431 0.634 . . . . 2.73 109.552 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD2' HD22 ' A' ' 20' ' ' LEU . 28.3 t80 -63.0 -52.63 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.184 -0.917 . . . . 1.59 109.683 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 26' ' ' TYR . 40.9 mt -65.59 -42.86 91.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 1.67 110.113 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.54 -33.05 74.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 1.95 110.223 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.802 -0.635 . . . . 3.11 110.546 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 121.103 0.478 . . . . 2.06 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -114.64 -39.13 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 2.43 110.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -87.65 88.51 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 3.12 110.551 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD13 ' CG ' ' A' ' 52' ' ' ASP . 19.8 mt -62.39 139.86 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.859 -0.61 . . . . 1.94 110.359 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 138.48 49.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 1.66 110.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -99.6 -33.59 10.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.85 -0.614 . . . . 2.95 110.33 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -77.24 139.15 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.666 -0.697 . . . . 4.27 110.247 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 20.2 mttt -72.67 130.56 40.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 3.18 110.534 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 65.8 mt -89.82 139.93 27.77 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.891 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -76.87 157.78 34.89 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.311 1.341 . . . . 1.63 112.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 49.5 mt -80.52 -46.67 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 1.43 111.224 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.13 -28.95 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.634 . . . . 2.31 111.351 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.92 -12.7 38.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 4.07 111.544 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -75.9 145.32 40.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.264 0.554 . . . . 1.58 111.079 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -117.0 -40.59 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.383 -0.826 . . . . 3.03 110.211 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 p -179.35 158.78 0.88 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.831 -0.622 . . . . 2.07 109.952 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 19.2 p90 -120.04 161.54 20.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.152 0.501 . . . . 1.74 110.911 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -140.95 93.81 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 3.6 110.249 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.759 ' HG3' HG22 ' A' ' 39' ' ' VAL . 53.0 ttp180 -76.36 147.6 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.529 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 40' ' ' ILE . 44.4 mt -118.13 130.53 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.674 -0.694 . . . . 1.7 110.297 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 37' ' ' LYS . 6.1 m -164.91 32.43 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.435 -0.802 . . . . 2.31 110.225 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -71.91 -60.81 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.833 -0.621 . . . . 3.47 110.765 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.99 -22.37 0.99 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.322 -0.711 . . . . 2.68 111.322 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -69.23 -31.14 69.5 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.942 0.401 . . . . 5.35 110.484 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -82.41 151.37 65.51 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.494 . . . . 2.1 110.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.08 -25.95 3.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 121.85 1.7 . . . . 2.27 112.808 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -127.23 135.75 51.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 3.28 110.607 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 30' ' ' THR . 5.5 tttt -85.63 95.14 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.821 -0.627 . . . . 3.31 110.182 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 -177.75 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.52 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.759 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.4 t -125.2 158.1 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.788 -0.642 . . . . 1.14 110.405 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 29' ' ' ILE . 37.9 mt -128.88 130.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 1.73 109.718 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.2 m-85 -109.53 147.48 32.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 1.49 110.751 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -125.21 127.98 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 2.95 109.861 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -89.88 -176.62 4.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.659 -0.7 . . . . 1.89 110.373 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.96 -0.18 34.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.986 -0.552 . . . . 3.19 111.708 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.51 19.96 9.05 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.691 -0.404 . . . . 2.68 111.228 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.92 36.61 21.75 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 2.57 110.736 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -126.22 157.86 37.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 3.49 110.465 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.14 154.44 37.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.867 -0.606 . . . . 2.28 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.4 mt -142.85 159.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 2.11 110.352 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 63.5 m -93.9 140.58 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.82 110.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.8 154.41 43.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.23 110.91 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.65 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.91 149.29 36.69 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.549 -0.75 . . . . 2.22 109.798 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -80.72 4.85 6.58 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 121.599 1.532 . . . . 1.21 113.656 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -110.32 19.15 19.15 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.609 -0.436 . . . . 3.39 111.107 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 10.1 mptt -100.74 155.53 17.85 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.073 0.463 . . . . 2.31 110.372 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -76.01 -31.95 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 3.69 110.69 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.59 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.1 p-90 -84.46 -27.15 27.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 1.33 110.496 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 52' ' ' ASP . 98.8 t -74.59 -44.15 47.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.283 -0.636 . . . . 0.97 109.283 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.04 -47.68 85.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 2.67 109.714 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -33.37 75.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.371 -0.831 . . . . 1.87 109.327 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.69 -52.94 47.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.572 -0.74 . . . . 1.05 110.132 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.437 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 19.7 ttp -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.813 -0.63 . . . . 1.92 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -41.87 74.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 2.73 109.917 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 56.4 t80 -62.09 -39.94 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.334 -0.848 . . . . 1.59 109.884 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 65' ' ' LEU . 55.0 mt -74.43 -38.01 63.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.411 0.624 . . . . 1.67 109.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.74 -34.45 77.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.049 -0.978 . . . . 1.95 110.93 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.418 0.525 . . . . 3.11 112.418 -179.355 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.092 0.472 . . . . 2.06 110.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 60.81 30.86 19.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.835 -0.62 . . . . 2.43 110.697 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -174.89 83.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 3.12 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 52' ' ' ASP . 29.9 mt -67.92 146.14 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 1.94 110.423 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.5 140.04 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 1.66 110.463 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.92 -37.03 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 2.95 110.223 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -75.12 115.75 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 4.27 110.153 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -59.08 132.7 54.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 3.18 110.846 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.7 mt -89.87 139.86 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.749 -0.659 . . . . 1.44 109.999 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -78.18 158.67 30.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.472 1.448 . . . . 1.63 112.961 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.1 mt -80.63 -42.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.311 -0.859 . . . . 1.43 111.128 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -58.68 -29.36 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.097 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -93.9 -10.2 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 4.07 111.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -72.87 145.84 46.61 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.339 0.59 . . . . 1.58 111.031 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -116.85 -42.0 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.359 -0.837 . . . . 3.03 109.997 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p 179.76 159.02 0.73 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.715 -0.675 . . . . 2.07 110.057 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 5.7 p90 -122.01 160.95 23.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.065 0.46 . . . . 1.74 110.64 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 40' ' ' ILE . 5.2 tpm_? -138.58 112.46 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.929 -0.578 . . . . 3.6 110.563 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -93.8 146.82 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.737 -0.665 . . . . 2.51 110.29 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.74 136.31 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.618 -0.719 . . . . 1.7 110.218 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 ' HD2' ' A' ' 37' ' ' LYS . 1.9 m -157.98 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.31 110.605 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -80.15 -172.58 3.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 3.47 110.376 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.88 43.92 1.98 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.656 -0.978 . . . . 2.68 110.656 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -121.03 -65.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.147 0.499 . . . . 5.35 110.509 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.0 150.13 94.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.691 -0.686 . . . . 2.1 110.419 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -82.87 -30.06 1.1 Allowed 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 121.872 1.714 . . . . 2.27 112.664 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -120.9 101.39 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 3.28 110.423 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG23 ' A' ' 30' ' ' THR . 2.0 pttp -61.6 108.02 0.9 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 3.31 110.376 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.55 -178.44 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 1.22 110.606 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -121.41 158.55 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 1.14 110.206 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.0 mp -134.77 130.29 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.342 -0.845 . . . . 1.73 109.708 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.706 ' HE2' HG13 ' A' ' 58' ' ' VAL . 55.5 m-85 -109.04 148.66 30.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.316 0.579 . . . . 1.49 111.187 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.728 ' O ' HD23 ' A' ' 23' ' ' LEU . 9.7 ttpt -121.15 140.75 51.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.297 -0.865 . . . . 2.95 109.657 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -107.81 -167.5 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.466 -0.788 . . . . 1.89 110.1 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.02 26.39 4.71 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.38 -0.373 . . . . 3.19 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.28 19.99 12.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.333 -0.394 . . . . 2.68 110.92 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 34.14 20.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.113 0.482 . . . . 2.57 110.654 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -128.41 150.19 50.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 3.49 110.534 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.668 ' C ' HD12 ' A' ' 49' ' ' ILE . 1.1 m-20 -122.47 145.37 48.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.174 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -136.73 158.56 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 2.11 109.993 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.491 ' N ' HG22 ' A' ' 49' ' ' ILE . 30.3 m -95.02 149.91 20.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.253 -0.885 . . . . 1.82 110.388 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -144.87 156.98 44.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.669 -0.696 . . . . 1.23 110.808 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.67 148.09 35.01 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.643 -0.708 . . . . 2.22 109.879 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.02 3.56 7.5 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 121.627 1.551 . . . . 1.21 113.626 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -110.25 19.09 19.25 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.657 -0.417 . . . . 3.39 111.095 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -100.7 161.88 13.3 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 2.31 110.485 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -81.0 -43.02 20.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.62 . . . . 3.69 110.65 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.7 p-90 -73.64 -28.96 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 1.33 110.245 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' HE2' ' A' ' 41' ' ' PHE . 87.0 t -73.68 -41.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.229 -0.656 . . . . 0.97 109.229 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.02 -46.4 89.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.67 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 1.87 109.229 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.5 -54.52 31.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.321 -0.854 . . . . 1.05 110.299 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.3 ptm -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.03 -0.532 . . . . 1.92 110.268 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -66.7 -37.23 84.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.356 0.598 . . . . 2.73 109.843 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.1 t80 -63.6 -51.71 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.854 . . . . 1.59 109.782 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.4 mt -68.68 -40.21 80.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 1.67 109.857 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.33 -29.63 70.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.269 -0.878 . . . . 1.95 110.384 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 121.058 0.456 . . . . 3.11 110.385 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.102 0.477 . . . . 2.06 110.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -123.32 -40.2 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.743 -0.662 . . . . 2.43 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -70.87 70.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.389 0.614 . . . . 3.12 110.21 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.683 HD22 ' C ' ' A' ' 51' ' ' ALA . 20.6 mt -65.75 163.17 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.94 110.601 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.91 139.86 30.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.76 -0.654 . . . . 1.66 110.524 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.33 -35.44 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 2.95 110.129 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -74.44 167.41 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 4.27 110.125 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -99.94 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.231 0.539 . . . . 3.18 110.553 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.3 mt -89.87 139.7 27.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.889 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -77.81 158.52 31.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.32 1.347 . . . . 1.63 112.813 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.6 mt -80.53 -40.06 26.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 1.43 110.888 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.66 -30.23 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.864 -0.607 . . . . 2.31 110.873 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ttp85 -92.49 -10.6 37.21 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.018 -0.537 . . . . 4.07 111.462 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.7 143.7 39.85 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.352 0.596 . . . . 1.58 111.001 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.45 -34.84 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.384 -0.826 . . . . 3.03 110.273 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 -173.2 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.876 -0.602 . . . . 2.07 109.766 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -151.85 153.38 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.109 0.48 . . . . 1.74 110.603 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 95.47 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 3.6 110.514 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 39' ' ' VAL . 21.1 ttp180 -73.77 147.66 43.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 2.51 110.193 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 40' ' ' ILE . 53.7 mt -130.64 136.34 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.704 -0.68 . . . . 1.7 110.354 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -171.92 35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.675 -0.693 . . . . 2.31 110.37 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -69.63 -172.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 3.47 110.503 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.3 -30.26 14.55 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.794 -0.922 . . . . 2.68 110.794 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.9 -36.0 75.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.058 0.456 . . . . 5.35 110.509 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 138.99 92.44 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.935 -0.575 . . . . 2.1 110.629 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -83.23 -33.7 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.638 1.559 . . . . 2.27 112.138 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -120.84 -172.7 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.42 -0.809 . . . . 3.28 110.097 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -129.67 137.67 50.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 3.31 110.359 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 -178.25 4.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.963 -0.562 . . . . 1.22 110.786 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 28' ' ' ARG . 61.9 t -135.37 159.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.627 -0.715 . . . . 1.14 110.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 49' ' ' ILE . 34.6 mt -130.09 130.11 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.73 109.951 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.5 m-85 -109.56 150.85 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.277 0.561 . . . . 1.49 110.982 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -129.49 128.05 42.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 2.95 109.788 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -89.78 -166.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.465 -0.789 . . . . 1.89 110.113 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -97.34 28.66 3.57 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.212 -0.449 . . . . 3.19 110.684 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 20.89 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.194 -0.457 . . . . 2.68 110.906 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 36.34 19.84 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.049 0.452 . . . . 2.57 110.675 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -131.83 152.21 51.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 3.49 110.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -119.36 154.51 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.817 -0.629 . . . . 2.28 110.335 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.5 mt -141.77 159.53 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 2.11 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 79.7 m -98.71 141.58 31.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.82 110.207 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.683 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -139.79 150.15 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.832 -0.622 . . . . 1.23 110.817 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 5.0 t0 -90.06 143.22 29.53 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.606 -0.724 . . . . 2.22 109.731 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.63 -0.19 10.51 Favored 'Trans proline' 0 N--CA 1.475 0.428 0 C-N-CA 121.494 1.462 . . . . 1.21 113.458 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -110.28 24.28 13.19 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.705 -0.398 . . . . 3.39 110.811 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 175.13 5.81 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.998 0.428 . . . . 2.31 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -89.1 -50.44 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.931 -0.577 . . . . 3.69 110.711 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.4 p-90 -71.04 -29.0 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 1.33 110.14 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG11 ' O ' ' A' ' 52' ' ' ASP . 53.9 t -72.1 -40.13 66.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.167 -0.679 . . . . 0.97 109.167 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.36 -41.51 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 2.67 109.408 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -33.66 71.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.492 -0.776 . . . . 1.87 109.082 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -68.26 -54.04 20.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.424 -0.807 . . . . 1.05 110.338 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -63.91 -34.88 78.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.085 -0.507 . . . . 1.92 110.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -72.61 -36.79 68.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.503 0.668 . . . . 2.73 109.317 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.846 ' CD2' HD22 ' A' ' 20' ' ' LEU . 27.9 t80 -62.68 -52.32 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.042 -0.981 . . . . 1.59 109.717 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 26' ' ' TYR . 74.6 mt -64.59 -41.26 96.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.714 -0.675 . . . . 1.67 110.135 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -34.54 76.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.306 -0.861 . . . . 1.95 110.226 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.859 -0.609 . . . . 3.11 111.653 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.163 0.506 . . . . 2.06 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.71 163.73 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.83 -0.623 . . . . 2.43 109.923 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.43 65.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.657 0.742 . . . . 3.12 109.158 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 52' ' ' ASP . 13.3 mt -52.98 143.23 17.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.07 -0.968 . . . . 1.94 111.228 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -58.87 138.55 57.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.391 -0.822 . . . . 1.66 110.896 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -105.46 -33.94 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.672 -0.695 . . . . 2.95 110.09 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -79.89 127.43 32.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.703 -0.68 . . . . 4.27 110.133 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 15.1 mttm -61.49 130.48 46.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.593 . . . . 3.18 110.659 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.6 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 67.7 mt -89.9 140.08 27.66 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.574 -0.739 . . . . 1.44 109.831 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -76.74 155.88 35.17 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.423 1.416 . . . . 1.63 113.174 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.1 mt -80.83 -47.47 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.091 -0.959 . . . . 1.43 111.269 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -55.81 -29.01 59.06 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.772 -0.649 . . . . 2.31 111.353 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -89.85 -13.69 35.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 4.07 111.464 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.6 mt -71.14 145.65 49.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.362 0.601 . . . . 1.58 111.095 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -117.32 -41.67 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.242 -0.89 . . . . 3.03 110.055 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 t 179.78 154.33 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.707 -0.678 . . . . 2.07 109.96 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -118.43 158.9 24.43 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.137 0.494 . . . . 1.74 110.672 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -135.32 110.35 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.641 . . . . 3.6 110.312 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -79.17 142.02 36.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 2.51 110.523 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 40' ' ' ILE . 46.4 mt -115.88 133.24 62.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.439 -0.801 . . . . 1.7 110.19 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -170.0 34.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.638 -0.71 . . . . 2.31 110.316 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -169.64 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.724 -0.671 . . . . 3.47 110.461 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.42 -15.42 40.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.917 -0.583 . . . . 2.68 111.708 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -96.78 26.85 4.26 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.733 -0.387 . . . . 5.35 111.158 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.23 130.41 23.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.691 -0.404 . . . . 2.1 109.939 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -84.84 -26.42 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 121.607 1.538 . . . . 2.27 112.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -125.48 98.98 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.792 -0.64 . . . . 3.28 110.546 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -66.25 154.02 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.903 -0.589 . . . . 3.31 110.367 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.15 -173.8 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 1.22 110.517 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 61.2 t -119.43 159.44 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.904 -0.589 . . . . 1.14 110.029 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -127.32 142.37 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 1.73 109.642 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.5 m-85 -122.83 147.41 46.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.424 0.631 . . . . 1.49 111.098 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.734 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.5 tttt -124.3 140.69 52.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 2.95 109.699 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.3 p -108.04 -164.23 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.474 -0.785 . . . . 1.89 109.904 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -97.05 29.09 3.24 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.901 0.381 . . . . 3.19 110.789 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.79 18.84 9.43 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.24 -0.436 . . . . 2.68 111.045 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.01 19.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.207 0.527 . . . . 2.57 110.745 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -134.24 154.65 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 3.49 110.613 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.682 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.4 m-20 -123.57 149.57 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.663 -0.699 . . . . 2.28 110.494 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 48' ' ' ASP . 37.8 mm -136.71 151.6 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 2.11 110.181 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -88.6 143.27 27.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.911 -0.586 . . . . 1.82 110.248 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.32 160.2 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.75 -0.659 . . . . 1.23 110.564 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.687 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -115.86 155.03 48.23 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 2.22 109.904 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.29 4.21 6.79 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 121.71 1.607 . . . . 1.21 113.576 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 10.79 40.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.66 -0.416 . . . . 3.39 111.274 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.52 154.8 18.25 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.041 0.448 . . . . 2.31 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 3.69 110.603 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.6 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -78.61 -27.22 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 1.33 110.482 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.687 HG11 ' O ' ' A' ' 52' ' ' ASP . 94.4 t -74.43 -42.23 49.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.039 -0.726 . . . . 0.97 109.039 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.21 -48.14 81.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.735 . . . . 2.67 109.644 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -34.16 77.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.367 -0.833 . . . . 1.87 109.409 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -65.25 -52.75 52.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.393 -0.821 . . . . 1.05 110.132 179.482 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.86 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.809 -0.632 . . . . 1.92 110.257 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.8 -38.78 89.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 2.73 109.764 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.4 t80 -64.4 -51.48 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.281 -0.872 . . . . 1.59 109.581 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.9 mt -65.7 -40.73 92.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 1.67 110.012 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.15 -38.15 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.299 -0.864 . . . . 1.95 110.232 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.761 -0.654 . . . . 3.11 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 121.154 0.502 . . . . 2.06 110.32 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -119.21 153.06 35.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 2.43 110.117 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.33 82.66 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.12 110.21 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 52' ' ' ASP . 24.7 mt -61.06 140.26 57.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.94 110.559 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 145.08 56.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.679 -0.691 . . . . 1.66 110.439 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -100.19 -58.6 1.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 2.95 110.181 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -63.15 127.02 29.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.658 -0.701 . . . . 4.27 110.106 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.07 140.05 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 3.18 110.863 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.431 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 69.3 mt -89.81 139.7 27.75 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.547 -0.751 . . . . 1.44 109.702 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.0 Cg_endo -74.65 156.48 44.56 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.294 1.329 . . . . 1.63 112.957 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.4 mt -80.46 -43.38 20.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.144 -0.935 . . . . 1.43 111.242 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -58.78 -29.5 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 2.31 111.013 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -89.77 -14.1 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 4.07 111.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 65' ' ' LEU . 5.1 mt -72.65 146.44 46.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.495 0.664 . . . . 1.58 111.281 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -120.71 -41.79 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.132 -0.94 . . . . 3.03 110.199 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.63 156.32 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.589 . . . . 2.07 109.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 18.5 p90 -119.97 171.04 8.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.171 0.51 . . . . 1.74 110.86 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -149.13 112.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.679 . . . . 3.6 110.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.707 ' HG3' HG22 ' A' ' 39' ' ' VAL . 32.7 ttp180 -87.16 149.73 24.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.886 -0.597 . . . . 2.51 110.534 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 40' ' ' ILE . 55.7 mt -118.87 138.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.604 -0.726 . . . . 1.7 110.302 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.2 28.27 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.76 -0.655 . . . . 2.31 110.422 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -76.33 174.38 10.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.236 0.541 . . . . 3.47 110.675 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.88 -22.46 20.6 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.227 -0.749 . . . . 2.68 111.227 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -69.46 -30.19 68.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.847 0.356 . . . . 5.35 110.683 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.6 m -77.74 153.11 80.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.205 -0.452 . . . . 2.1 110.268 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.88 -23.24 3.89 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 121.931 1.754 . . . . 2.27 113.152 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.35 162.56 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.322 0.582 . . . . 3.28 111.053 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -101.13 116.84 33.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.338 -0.847 . . . . 3.31 110.035 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.11 -178.39 5.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.15 0.5 . . . . 1.22 110.951 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.707 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.2 t -125.13 158.85 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.561 -0.745 . . . . 1.14 110.261 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 29' ' ' ILE . 1.3 mp -127.19 130.89 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.497 -0.774 . . . . 1.73 109.417 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.4 m-85 -109.29 147.99 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.405 0.621 . . . . 1.49 110.739 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -126.98 130.58 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.859 . . . . 2.95 109.85 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.3 p -90.66 -166.41 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.67 . . . . 1.89 109.825 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -97.58 29.26 3.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 3.19 110.779 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -124.57 21.75 8.45 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.206 -0.452 . . . . 2.68 110.902 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.21 35.18 18.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.128 0.49 . . . . 2.57 110.556 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -125.66 151.13 46.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.03 152.52 38.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.889 -0.596 . . . . 2.28 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 50' ' ' CYS . 56.0 mt -142.49 159.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.649 -0.705 . . . . 2.11 110.067 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 49' ' ' ILE . 24.7 m -95.18 149.86 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 1.82 110.423 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' HD2' ' A' ' 41' ' ' PHE . . . -150.74 155.68 39.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.727 -0.67 . . . . 1.23 110.713 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.66 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -106.2 146.96 34.0 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.706 -0.679 . . . . 2.22 109.786 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -80.36 6.17 5.56 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 121.668 1.579 . . . . 1.21 113.586 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -109.59 17.21 21.58 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.69 -0.404 . . . . 3.39 111.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -100.58 163.03 12.53 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.061 0.458 . . . . 2.31 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -80.57 -39.57 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.858 -0.61 . . . . 3.69 110.589 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.466 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.1 p-90 -77.62 -27.65 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 1.33 110.559 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 52' ' ' ASP . 99.7 t -75.89 -41.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.127 -0.694 . . . . 0.97 109.127 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -61.87 -47.54 84.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.696 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.4 80.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 1.87 109.322 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -63.83 -50.79 67.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.348 -0.842 . . . . 1.05 110.176 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.03 -44.16 97.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.802 -0.635 . . . . 1.92 110.453 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.359 0.6 . . . . 2.73 109.74 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD2' HD22 ' A' ' 20' ' ' LEU . 81.4 t80 -63.4 -49.72 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.24 -0.891 . . . . 1.59 109.652 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 23' ' ' LEU . 82.4 mt -67.87 -42.7 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.654 . . . . 1.67 109.966 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.77 -26.94 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.257 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 116.009 -0.541 . . . . 3.11 112.06 -179.744 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.164 0.507 . . . . 2.06 110.205 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -105.14 156.42 18.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.24 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 61.21 81.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 3.12 110.421 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.603 HD13 ' CG ' ' A' ' 52' ' ' ASP . 13.8 mt -63.4 140.11 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 1.94 110.285 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 137.76 57.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.64 . . . . 1.66 110.529 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -34.7 10.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.912 -0.586 . . . . 2.95 109.973 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.58 147.51 41.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 4.27 110.209 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -83.75 126.73 33.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 3.18 110.562 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.6 mt -89.66 139.93 28.01 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.56 -0.746 . . . . 1.44 109.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -75.92 156.45 38.94 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.325 1.35 . . . . 1.63 112.939 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 23' ' ' LEU . 73.1 mt -80.7 -38.32 29.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.187 -0.915 . . . . 1.43 111.171 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -58.95 -30.65 68.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 2.31 111.1 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -90.02 -12.4 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 4.07 111.52 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 20' ' ' LEU . 7.7 mt -74.49 147.22 42.1 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.479 0.657 . . . . 1.58 111.244 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -118.69 -40.39 2.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.205 -0.907 . . . . 3.03 110.303 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -175.72 160.91 2.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.829 -0.623 . . . . 2.07 109.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.4 p90 -127.31 163.21 24.46 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.478 -0.489 . . . . 1.74 110.839 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.714 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -140.18 107.57 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 3.6 110.385 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' CG ' HG22 ' A' ' 39' ' ' VAL . 4.9 ttm180 -91.9 142.53 27.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.608 . . . . 2.51 110.415 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' THR . 54.7 mt -123.06 144.78 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 1.7 110.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -162.44 31.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 2.31 110.477 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -78.43 -172.29 2.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.549 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.94 37.75 3.66 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -118.82 -42.89 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 5.35 110.407 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -73.11 159.23 85.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 115.745 -0.661 . . . . 2.1 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.37 -26.59 3.22 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.797 1.665 . . . . 2.27 112.572 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.43 138.82 25.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.463 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.7 154.82 41.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.823 -0.626 . . . . 3.31 110.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.02 -177.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.579 . . . . 1.22 110.546 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 40' ' ' ILE . 38.9 t -133.05 159.59 43.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 1.14 110.206 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.5 mp -128.46 130.47 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.775 . . . . 1.73 109.661 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.65 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.8 m-85 -109.24 149.07 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.381 0.61 . . . . 1.49 111.177 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.3 mttt -125.33 131.59 53.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.219 -0.9 . . . . 2.95 109.782 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 p -99.23 -165.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 1.89 109.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.67 29.51 3.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.929 0.395 . . . . 3.19 110.697 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.98 18.76 10.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.143 -0.48 . . . . 2.68 111.081 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.6 33.66 22.09 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.026 0.441 . . . . 2.57 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -132.06 146.05 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.061 -0.518 . . . . 3.49 110.488 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.84 156.41 23.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.635 . . . . 2.28 110.326 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.9 mt -141.84 159.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.8 -0.636 . . . . 2.11 110.26 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 49' ' ' ILE . 90.9 m -91.51 144.74 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.47 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.75 148.11 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 1.23 110.564 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.717 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -96.35 146.94 32.19 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.742 -0.663 . . . . 2.22 109.81 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -80.29 4.67 6.62 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 121.585 1.524 . . . . 1.21 113.458 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -109.54 15.56 22.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.771 -0.372 . . . . 3.39 111.113 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.29 161.45 13.59 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.042 0.449 . . . . 2.31 110.085 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -72.96 -61.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 3.69 110.791 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CE2' HG23 ' A' ' 58' ' ' VAL . 59.5 p-90 -57.3 -30.92 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 1.33 110.611 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.6 t -72.18 -37.84 60.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.814 -0.81 . . . . 0.97 108.814 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -66.12 -46.55 77.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.515 -0.766 . . . . 2.67 109.355 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.06 -32.23 72.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.428 -0.805 . . . . 1.87 109.138 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 7.4 m -64.69 -53.99 38.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.543 -0.753 . . . . 1.05 110.43 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 ptm -63.3 -41.35 98.94 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 1.92 110.383 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.92 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.299 0.571 . . . . 2.73 109.781 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' CD2' HD22 ' A' ' 20' ' ' LEU . 52.5 t80 -64.59 -52.87 55.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.375 -0.83 . . . . 1.59 109.588 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' LEU . 52.2 mt -65.5 -39.79 92.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.545 -0.752 . . . . 1.67 110.006 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.429 -0.805 . . . . 1.95 110.045 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 CA--C 1.535 0.366 0 CA-C-N 115.757 -0.656 . . . . 3.11 111.617 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.136 0.493 . . . . 2.06 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -97.57 -33.25 11.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.718 -0.674 . . . . 2.43 110.457 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -90.13 76.7 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.78 -0.646 . . . . 3.12 110.429 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 52' ' ' ASP . 28.0 mt -62.94 140.2 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 1.94 110.373 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.65 140.2 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 1.66 110.245 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -93.75 -55.91 3.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.895 -0.593 . . . . 2.95 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -63.31 170.61 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.026 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -98.12 139.24 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 3.18 110.506 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 60.6 mt -89.9 139.62 27.6 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 115.698 -0.683 . . . . 1.44 109.865 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.95 155.42 34.05 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 121.382 1.388 . . . . 1.63 112.92 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.4 mt -80.94 -44.58 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.228 -0.896 . . . . 1.43 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.87 -29.39 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.151 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.76 -12.46 31.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.241 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.9 mt -70.41 140.86 52.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.203 0.525 . . . . 1.58 110.796 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.54 -36.82 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.483 -0.781 . . . . 3.03 110.149 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -176.41 -177.7 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.669 -0.696 . . . . 2.07 109.802 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.7 p90 -150.57 153.21 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.14 0.495 . . . . 1.74 110.706 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -134.01 119.82 19.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.684 -0.689 . . . . 3.6 110.573 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 39' ' ' VAL . 8.9 tmm_? -101.12 147.98 25.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 2.51 110.33 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.91 144.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.716 -0.675 . . . . 1.7 110.388 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.4 m -163.83 31.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.31 110.447 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -80.8 -172.36 3.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.927 -0.579 . . . . 3.47 110.498 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -103.29 32.15 7.9 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.807 -0.917 . . . . 2.68 110.807 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.38 -37.5 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.105 0.478 . . . . 5.35 110.428 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 m -86.9 155.34 55.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 2.1 110.385 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.35 -27.84 2.62 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.861 1.708 . . . . 2.27 112.569 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.77 124.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 3.28 110.371 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -60.68 162.02 7.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.853 -0.612 . . . . 3.31 110.513 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 -177.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 1.22 110.513 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -130.05 158.66 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.758 -0.655 . . . . 1.14 110.141 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 47.8 mt -127.85 130.61 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.323 -0.853 . . . . 1.73 109.534 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -109.07 148.34 30.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.261 0.553 . . . . 1.49 110.866 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.4 ttmt -122.7 138.49 54.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.471 -0.786 . . . . 2.95 109.751 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -104.01 -166.82 1.29 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.336 -0.847 . . . . 1.89 109.962 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.49 29.07 3.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 3.19 110.684 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 19.47 10.11 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.256 -0.429 . . . . 2.68 111.041 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 37.06 21.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.176 0.512 . . . . 2.57 110.662 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -130.68 152.29 50.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.49 110.581 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.671 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.4 m-20 -118.56 146.94 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.71 -0.677 . . . . 2.28 110.241 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 48' ' ' ASP . 40.2 mm -135.03 144.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 2.11 110.426 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.0 m -82.79 145.14 29.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.816 -0.629 . . . . 1.82 110.148 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.01 140.5 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.6 . . . . 1.23 110.703 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.7 p-10 -91.74 150.48 40.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 2.22 110.071 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 10.15 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.526 0 C-N-CA 121.735 1.623 . . . . 1.21 113.741 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 13.77 22.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.411 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.72 152.31 20.62 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.479 -0.488 . . . . 2.31 110.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -72.54 -31.71 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.665 . . . . 3.69 110.998 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.474 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.2 p-90 -83.89 -27.89 28.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.436 -0.505 . . . . 1.33 110.257 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.3 t -75.07 -46.73 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.375 -0.602 . . . . 0.97 109.375 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -39.12 88.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.824 -0.625 . . . . 2.67 109.942 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -34.72 67.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.063 -0.717 . . . . 1.87 109.063 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.2 m -64.82 -51.77 60.36 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.32 -0.855 . . . . 1.05 110.205 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -63.51 -41.82 98.5 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.249 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -64.62 -36.02 82.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 2.73 109.801 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.9 t80 -62.83 -54.82 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.358 -0.837 . . . . 1.59 109.743 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 75.9 mt -64.8 -41.09 96.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.59 -0.732 . . . . 1.67 109.953 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.37 -34.7 77.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 1.95 110.019 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 CA--C 1.534 0.343 0 CA-C-N 115.723 -0.671 . . . . 3.11 111.469 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.192 0.52 . . . . 2.06 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -116.39 -39.53 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 2.43 110.436 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.15 91.6 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.619 . . . . 3.12 110.478 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 52' ' ' ASP . 18.9 mt -77.14 140.61 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.94 110.497 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.92 146.1 55.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 1.66 110.589 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -107.43 -37.08 6.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.65 . . . . 2.95 110.296 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.17 129.07 34.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 4.27 110.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 1.2 pttp -61.45 138.66 58.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 3.18 110.653 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.451 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.9 mt -96.98 140.1 21.91 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.573 -0.739 . . . . 1.44 109.923 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -78.02 157.6 30.62 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.349 1.366 . . . . 1.63 112.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.883 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.8 mt -80.68 -42.91 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 1.43 111.132 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.4 -29.73 66.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.086 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -91.44 -12.82 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.369 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -73.8 145.54 44.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.346 0.593 . . . . 1.58 111.083 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.06 -41.27 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.03 110.15 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -169.89 -177.03 2.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.934 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.67 148.47 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.29 0.567 . . . . 1.74 110.809 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.88 108.96 14.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 3.6 110.177 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -80.53 145.01 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.404 0.621 . . . . 2.51 110.649 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 40' ' ' ILE . 1.8 mm -104.67 -158.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.284 -0.871 . . . . 1.7 108.654 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.53 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 73.78 29.26 1.5 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.971 0.415 . . . . 2.31 110.347 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 t -75.96 -32.71 59.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 3.47 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.42 -31.2 2.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.774 -0.931 . . . . 2.68 110.774 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -32.64 61.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 5.35 110.89 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.74 149.16 63.35 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.059 -0.518 . . . . 2.1 110.482 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -83.52 -29.11 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.862 1.708 . . . . 2.27 112.822 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -113.91 174.46 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 3.28 110.784 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -108.74 140.07 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.611 -0.722 . . . . 3.31 110.123 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.25 -173.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.182 0.515 . . . . 1.22 110.978 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 93.2 t -144.46 159.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.474 -0.784 . . . . 1.14 109.592 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 29' ' ' ILE . 37.1 mt -127.73 134.41 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 1.73 109.602 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.5 m-85 -112.89 148.57 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.275 0.56 . . . . 1.49 110.955 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.782 ' O ' HD23 ' A' ' 23' ' ' LEU . 42.2 tttp -123.53 138.52 54.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.392 -0.822 . . . . 2.95 109.853 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.8 p -101.64 -169.75 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.396 -0.82 . . . . 1.89 110.142 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -98.48 29.34 3.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.763 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.21 22.2 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 2.68 110.899 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 45.68 9.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.329 0.585 . . . . 2.57 110.606 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.59 152.27 45.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.757 -0.656 . . . . 3.49 110.45 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -122.47 152.28 40.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 2.28 110.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.7 mt -137.93 159.76 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 2.11 110.223 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 96.1 m -98.18 144.51 27.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 1.82 110.413 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -147.03 153.03 39.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 1.23 110.814 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.646 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -102.34 145.83 31.22 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.603 -0.726 . . . . 2.22 109.75 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.44 1.67 8.54 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 121.512 1.474 . . . . 1.21 113.701 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -100.82 13.49 34.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.621 -0.432 . . . . 3.39 111.149 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -100.68 156.63 17.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.113 0.482 . . . . 2.31 110.387 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.26 -37.55 60.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.87 -0.604 . . . . 3.69 110.919 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.52 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.8 p-90 -79.09 -29.15 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 1.33 110.45 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.5 t -74.28 -41.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.443 -0.577 . . . . 0.97 109.443 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -63.04 -46.26 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 2.67 109.711 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -35.69 79.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.539 -0.755 . . . . 1.87 109.341 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -65.06 -50.62 65.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.341 -0.845 . . . . 1.05 110.042 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.3 ttm -62.92 -45.04 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 1.92 110.098 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -64.47 -34.58 78.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.809 -0.632 . . . . 2.73 109.708 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.883 ' CD2' HD22 ' A' ' 20' ' ' LEU . 36.5 t80 -62.92 -53.81 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 1.59 109.978 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 26' ' ' TYR . 51.1 mt -65.15 -40.57 94.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.445 0.64 . . . . 1.67 110.03 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.81 -31.65 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.14 -0.936 . . . . 1.95 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 116.034 -0.53 . . . . 3.11 110.505 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.247 0.546 . . . . 2.06 110.787 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.14 -46.92 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.568 -0.742 . . . . 2.43 110.338 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.06 86.04 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 3.12 110.319 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 52' ' ' ASP . 24.2 mt -69.57 140.93 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.721 -0.672 . . . . 1.94 110.411 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 142.94 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.655 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -105.18 -35.89 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 2.95 110.212 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -82.59 129.46 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.677 . . . . 4.27 110.113 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 6.4 pttt -61.2 142.16 56.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 3.18 110.858 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.1 mt -97.12 140.06 21.86 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.546 -0.752 . . . . 1.44 109.847 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.83 155.61 30.76 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.346 1.364 . . . . 1.63 112.94 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 64' ' ' TYR . 40.5 mt -80.85 -40.66 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.249 -0.887 . . . . 1.43 110.974 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -58.74 -30.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.31 111.03 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -94.33 -10.16 33.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.527 . . . . 4.07 111.335 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.3 mt -74.43 142.09 44.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.35 0.595 . . . . 1.58 110.994 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.46 -40.77 3.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.371 -0.831 . . . . 3.03 110.056 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 t -178.79 163.1 1.39 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.73 -0.668 . . . . 2.07 109.767 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -125.92 153.23 44.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.265 0.555 . . . . 1.74 111.062 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -127.56 107.36 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 3.6 110.138 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -66.14 148.84 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 2.51 110.744 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 40' ' ' ILE . 50.0 mm -100.48 136.71 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.378 -0.828 . . . . 1.7 109.936 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t 174.8 62.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.589 -0.732 . . . . 2.31 109.862 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -59.99 -39.62 86.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 3.47 110.849 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.22 -60.39 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.595 -1.002 . . . . 2.68 110.595 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 32.68 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.507 . . . . 5.35 110.014 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.02 166.91 30.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 2.1 110.582 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -79.02 -32.52 1.82 Allowed 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 121.748 1.632 . . . . 2.27 112.443 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.37 135.77 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.789 -0.641 . . . . 3.28 110.711 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -68.57 172.15 6.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.817 -0.628 . . . . 3.31 110.059 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.52 -166.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 1.22 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 ' O ' HD13 ' A' ' 40' ' ' ILE . 45.6 t -141.22 158.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.237 0.541 . . . . 1.14 110.06 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.746 ' CG1' HD11 ' A' ' 29' ' ' ILE . 26.4 mm -128.3 146.53 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.536 -0.756 . . . . 1.73 109.566 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.685 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -126.58 148.44 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.375 0.607 . . . . 1.49 111.321 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.3 mttt -125.04 131.9 53.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.165 -0.925 . . . . 2.95 109.612 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 p -99.31 -163.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.81 -0.632 . . . . 1.89 110.045 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -93.18 21.27 6.07 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.499 -0.319 . . . . 3.19 111.311 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.56 18.96 14.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.925 -0.31 . . . . 2.68 111.027 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.42 32.79 22.02 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.982 0.42 . . . . 2.57 110.701 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -123.05 148.28 45.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.583 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.642 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -113.55 146.38 39.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.76 -0.655 . . . . 2.28 110.368 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.3 mm -132.28 155.81 41.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 2.11 110.422 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.0 m -94.08 140.67 29.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -146.97 148.87 32.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 1.23 110.808 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB3' HD13 ' A' ' 13' ' ' LEU . 4.2 p-10 -95.95 152.78 39.19 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.806 -0.634 . . . . 2.22 110.204 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.02 5.4 6.25 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 121.774 1.649 . . . . 1.21 113.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.29 19.03 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.563 -0.455 . . . . 3.39 111.25 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.7 mmtm -100.67 151.03 22.13 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.124 0.488 . . . . 2.31 110.305 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -72.73 -34.01 66.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.829 -0.623 . . . . 3.69 111.036 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.5 p-90 -84.1 -28.32 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.405 -0.518 . . . . 1.33 110.413 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.691 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.8 t -73.05 -45.09 55.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.26 -0.644 . . . . 0.97 109.26 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.25 -46.8 88.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.717 -0.674 . . . . 2.67 109.782 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -33.4 75.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.447 -0.797 . . . . 1.87 109.254 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -65.19 -54.83 23.63 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.406 -0.816 . . . . 1.05 110.312 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.438 ' CE ' HG12 ' A' ' 58' ' ' VAL . 24.4 ptp -61.36 -38.71 87.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 1.92 110.395 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.5 -37.28 84.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.282 0.563 . . . . 2.73 109.656 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.476 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.0 t80 -62.96 -54.75 33.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.319 -0.855 . . . . 1.59 109.628 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 79.1 mt -65.13 -40.71 94.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.76 . . . . 1.67 109.837 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.21 -29.01 68.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.851 . . . . 1.95 110.056 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.082 -0.508 . . . . 3.11 110.44 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.132 0.491 . . . . 2.06 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -124.06 31.91 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 2.43 110.122 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -159.01 82.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.759 -0.655 . . . . 3.12 110.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 52' ' ' ASP . 34.8 mt -64.98 140.48 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.676 . . . . 1.94 110.479 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.79 150.85 46.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.561 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.9 -48.55 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 2.95 110.384 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 121.33 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 4.27 110.148 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.13 138.15 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.722 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.407 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.4 mt -89.94 139.98 27.59 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 115.527 -0.761 . . . . 1.44 109.892 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.39 158.03 36.81 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 121.335 1.357 . . . . 1.63 112.799 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.3 mt -80.45 -43.76 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.43 111.192 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.35 -29.49 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 2.31 111.131 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -92.63 -12.44 31.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.449 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.82 146.41 49.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.502 0.667 . . . . 1.58 111.205 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -120.02 -42.1 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.087 -0.961 . . . . 3.03 110.191 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -178.93 158.88 0.98 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.796 -0.638 . . . . 2.07 109.864 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 15.5 p90 -122.14 158.49 29.2 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.554 -0.458 . . . . 1.74 110.709 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -136.42 109.22 7.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 3.6 110.449 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -87.02 149.69 24.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 2.51 110.546 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 40' ' ' ILE . 49.7 mt -116.07 153.98 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.68 -0.691 . . . . 1.7 110.205 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.8 m -164.01 34.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.879 -0.6 . . . . 2.31 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 137.88 58.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.47 110.583 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.63 -35.03 91.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 2.68 110.76 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -72.4 -29.16 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 5.35 110.65 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.0 148.7 69.55 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.127 -0.488 . . . . 2.1 110.511 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.9 -29.98 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.826 1.684 . . . . 2.27 112.55 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -147.05 144.31 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 3.28 110.39 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.8 OUTLIER -89.74 143.06 27.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 3.31 110.355 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.57 -177.35 6.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.22 110.386 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -126.58 158.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.376 0.608 . . . . 1.14 110.594 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 29' ' ' ILE . 49.5 mt -130.72 130.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.247 -0.888 . . . . 1.73 109.481 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.639 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.2 m-85 -108.37 147.83 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.413 0.625 . . . . 1.49 111.098 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.658 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.8 tttp -126.25 139.31 53.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.255 -0.884 . . . . 2.95 109.712 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -98.77 -166.34 1.35 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.316 -0.856 . . . . 1.89 109.865 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -98.23 30.17 3.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.965 0.412 . . . . 3.19 110.705 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -125.17 21.57 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.049 -0.523 . . . . 2.68 110.917 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.07 36.94 18.19 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.12 0.486 . . . . 2.57 110.603 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -128.6 151.16 49.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.595 . . . . 3.49 110.45 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.679 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 m-20 -124.69 148.14 48.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.368 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.5 mm -135.76 155.51 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 2.11 110.206 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 9.0 m -87.06 153.83 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 1.82 110.317 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.0 152.58 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 1.23 110.573 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.697 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -109.99 157.26 38.32 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.691 -0.686 . . . . 2.22 109.829 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.55 7.39 5.03 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 121.732 1.622 . . . . 1.21 113.6 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -105.02 10.89 33.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.413 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.9 mmtm -100.68 150.84 22.33 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.062 0.458 . . . . 2.31 110.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 3.69 110.623 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.4 p-90 -74.41 -27.51 60.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 1.33 110.568 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 52' ' ' ASP . 96.8 t -76.05 -39.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.189 -0.671 . . . . 0.97 109.189 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.1 -47.1 81.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.767 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.25 -35.02 78.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 1.87 109.353 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -65.78 -50.33 65.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.083 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.346 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.38 -38.79 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 2.73 109.814 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 20' ' ' LEU . 75.4 t80 -66.07 -48.84 69.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.341 -0.845 . . . . 1.59 109.755 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 65' ' ' LEU . 72.8 mt -66.61 -40.57 88.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.644 -0.707 . . . . 1.67 110.179 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -35.52 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.341 -0.845 . . . . 1.95 110.211 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 3.11 110.59 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.122 0.487 . . . . 2.06 110.639 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -118.98 -43.27 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 2.43 110.351 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -81.7 86.79 6.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 3.12 110.203 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 52' ' ' ASP . 44.2 mt -60.95 140.95 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.645 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.02 134.61 36.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.783 -0.644 . . . . 1.66 110.608 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -100.59 -31.78 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.685 -0.689 . . . . 2.95 110.218 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -72.13 121.68 19.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.885 -0.598 . . . . 4.27 110.505 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -58.01 136.63 57.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.702 -0.681 . . . . 3.18 110.734 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.5 mt -104.82 139.86 20.51 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.735 -0.666 . . . . 1.44 109.871 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -78.85 157.1 27.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.434 1.423 . . . . 1.63 113.086 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 64' ' ' TYR . 35.7 mt -80.78 -43.82 19.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.204 -0.907 . . . . 1.43 111.176 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.66 -29.42 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.799 -0.637 . . . . 2.31 111.138 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -90.33 -12.06 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 4.07 111.507 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -74.39 142.8 45.0 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.315 0.579 . . . . 1.58 110.913 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.66 -35.49 5.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.372 -0.831 . . . . 3.03 110.24 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -176.72 -171.72 0.4 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.88 -0.6 . . . . 2.07 109.914 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.1 p90 -153.62 152.48 30.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.192 0.52 . . . . 1.74 110.943 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 33.9 mtm-85 -128.48 119.44 24.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.553 -0.748 . . . . 3.6 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.567 ' HG3' HG22 ' A' ' 39' ' ' VAL . 31.7 ttt85 -107.0 148.27 28.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 2.51 110.38 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 30' ' ' THR . 42.7 mt -124.78 136.06 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 1.7 110.222 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 37' ' ' LYS . 4.8 p -159.41 30.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.792 -0.64 . . . . 2.31 110.496 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -74.68 -178.79 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 3.47 110.515 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.72 31.16 8.7 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.799 -0.92 . . . . 2.68 110.799 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -122.16 -44.34 2.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.172 0.511 . . . . 5.35 110.448 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.51 156.34 53.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 2.1 110.271 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.63 -26.79 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.871 1.714 . . . . 2.27 112.51 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.89 156.11 41.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.837 -0.62 . . . . 3.28 110.339 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -90.37 147.06 23.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.795 -0.639 . . . . 3.31 110.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.49 -177.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.602 . . . . 1.22 110.431 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' SD ' ' A' ' 62' ' ' MET . 41.3 t -132.19 158.44 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.767 -0.651 . . . . 1.14 110.479 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -132.66 130.68 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.685 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 58' ' ' VAL . 36.6 m-85 -109.2 147.93 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.196 0.522 . . . . 1.49 110.817 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 130.75 46.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.756 . . . . 2.95 110.01 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.0 p -89.75 -166.27 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.485 -0.779 . . . . 1.89 109.909 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -97.57 30.67 2.82 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.001 0.429 . . . . 3.19 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mt -126.45 21.39 7.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.07 -0.514 . . . . 2.68 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 37.66 18.02 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.148 0.499 . . . . 2.57 110.492 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -127.63 141.86 51.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.589 . . . . 3.49 110.463 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.1 m-20 -116.24 145.8 42.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.391 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.8 mm -135.04 153.77 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 2.11 110.228 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.58 143.28 26.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.387 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.6 143.17 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.382 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 12.0 p-10 -89.81 150.13 43.31 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.95 -0.568 . . . . 2.22 110.118 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -80.54 4.24 7.04 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 121.633 1.555 . . . . 1.21 113.486 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -110.16 22.19 15.86 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.609 -0.437 . . . . 3.39 111.097 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 7.7 mmtm -100.57 158.61 15.8 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.064 0.459 . . . . 2.31 110.17 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -77.15 -41.19 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.817 -0.629 . . . . 3.69 110.61 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 67.9 p-90 -80.1 -28.61 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 1.33 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 61.1 t -73.04 -42.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.192 -0.669 . . . . 0.97 109.192 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.87 -47.92 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 2.67 109.436 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -34.64 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.354 -0.839 . . . . 1.87 109.244 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -63.65 -52.19 61.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.396 -0.82 . . . . 1.05 110.032 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 39' ' ' VAL . 50.6 mtm -60.4 -45.3 94.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.774 -0.648 . . . . 1.92 110.394 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.99 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 2.73 109.799 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.842 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.4 t80 -61.68 -49.06 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.352 -0.84 . . . . 1.59 110.056 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 26' ' ' TYR . 58.5 mt -68.84 -38.89 80.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 1.67 110.453 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.88 -25.05 62.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.281 -0.872 . . . . 1.95 110.929 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 111.944 0.35 . . . . 3.11 111.944 -178.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.281 0.562 . . . . 2.06 110.685 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -127.61 172.74 10.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 2.43 109.562 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 41.72 76.73 0.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.29 0.567 . . . . 3.12 111.403 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 52' ' ' ASP . 10.1 mt -56.14 139.67 46.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.497 -0.774 . . . . 1.94 111.143 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -60.93 139.26 58.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.455 -0.793 . . . . 1.66 110.597 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.9 -35.03 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.778 -0.647 . . . . 2.95 110.117 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -74.26 170.61 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.27 110.007 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -100.1 144.61 28.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.242 0.544 . . . . 3.18 110.603 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.7 mt -107.2 140.01 21.03 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.667 -0.697 . . . . 1.44 109.783 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.78 157.59 31.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.355 1.37 . . . . 1.63 113.053 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.5 mt -80.53 -40.13 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.34 -0.845 . . . . 1.43 111.128 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.63 -30.68 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.641 . . . . 2.31 111.171 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -90.4 -12.17 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 4.07 111.489 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.59 146.6 44.56 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.461 0.648 . . . . 1.58 111.161 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.26 -41.23 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.148 -0.933 . . . . 3.03 110.074 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -171.96 -174.21 1.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.698 -0.683 . . . . 2.07 109.894 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -153.73 153.4 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.242 0.544 . . . . 1.74 110.925 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -136.61 121.13 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.591 -0.731 . . . . 3.6 110.352 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -97.11 149.12 22.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 40' ' ' ILE . 41.7 mt -126.53 136.83 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 1.7 110.47 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 30' ' ' THR . 27.4 m -164.15 42.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 2.31 110.181 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -72.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.723 -0.671 . . . . 3.47 110.75 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.37 -37.46 1.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.778 -0.929 . . . . 2.68 110.778 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -69.86 -31.64 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.085 0.469 . . . . 5.35 110.411 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.67 167.37 2.57 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.859 -0.61 . . . . 2.1 110.581 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -79.02 -29.73 3.12 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 121.839 1.693 . . . . 2.27 112.74 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -160.11 135.48 8.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 3.28 110.552 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 144.45 30.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.797 -0.638 . . . . 3.31 110.271 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.09 -173.96 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 1.22 110.34 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 40' ' ' ILE . 58.0 t -119.49 157.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.412 0.625 . . . . 1.14 110.264 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 29' ' ' ILE . 41.4 mt -128.1 130.13 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.158 -0.928 . . . . 1.73 109.515 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.662 ' CE2' HG13 ' A' ' 58' ' ' VAL . 35.0 m-85 -108.98 149.0 29.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.336 0.589 . . . . 1.49 110.863 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.0 mtpt -123.94 130.98 53.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 2.95 109.758 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -97.0 -168.24 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.631 . . . . 1.89 109.993 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.48 29.6 3.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 3.19 110.597 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 20.07 11.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.073 -0.512 . . . . 2.68 110.927 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.37 38.36 19.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.108 0.48 . . . . 2.57 110.608 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -136.14 158.42 44.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 3.49 110.63 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.0 157.83 33.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.674 -0.694 . . . . 2.28 110.374 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.7 mt -141.94 159.51 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 2.11 110.356 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.3 m -96.14 138.5 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.742 -0.663 . . . . 1.82 110.419 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.41 154.24 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.806 -0.633 . . . . 1.23 110.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.68 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -112.1 152.63 44.5 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.818 -0.628 . . . . 2.22 109.676 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -78.28 3.51 7.06 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 121.525 1.483 . . . . 1.21 113.667 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -98.75 9.41 43.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.649 -0.42 . . . . 3.39 111.307 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.34 158.17 16.08 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.093 0.473 . . . . 2.31 110.399 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -75.89 -47.02 27.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.804 -0.634 . . . . 3.69 110.726 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.573 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 66.5 p-90 -69.2 -27.15 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 1.33 110.478 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.68 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.9 t -76.95 -37.2 26.54 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 N-CA-C 109.097 -0.705 . . . . 0.97 109.097 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.06 -47.56 76.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 2.67 109.579 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.382 -0.826 . . . . 1.87 109.327 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.32 -50.05 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.421 -0.809 . . . . 1.05 109.966 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.7 ttp -64.52 -44.59 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 1.92 109.912 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -35.39 80.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 2.73 109.561 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.828 ' CD2' HD22 ' A' ' 20' ' ' LEU . 24.1 t80 -61.2 -55.36 33.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.332 -0.849 . . . . 1.59 109.809 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 26' ' ' TYR . 81.5 mt -66.31 -42.18 88.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.779 -0.646 . . . . 1.67 109.673 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.01 -23.56 65.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 1.95 110.193 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 CA--C 1.534 0.341 0 CA-C-N 116.153 -0.476 . . . . 3.11 112.171 -179.658 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 121.055 0.455 . . . . 2.06 110.373 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 60.34 31.11 20.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.847 -0.615 . . . . 2.43 110.658 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -178.14 83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 3.12 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 52' ' ' ASP . 35.2 mt -65.36 161.1 20.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.849 -0.614 . . . . 1.94 110.351 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.21 142.35 31.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.853 -0.612 . . . . 1.66 110.564 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.96 -35.38 9.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 2.95 110.277 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -78.31 113.42 16.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.663 -0.698 . . . . 4.27 110.078 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -59.77 137.48 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 3.18 110.739 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 59.0 mt -89.74 139.86 27.87 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.515 -0.766 . . . . 1.44 109.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -76.36 158.24 36.9 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.417 1.411 . . . . 1.63 112.958 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.8 mt -80.35 -43.27 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.337 -0.847 . . . . 1.43 111.178 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -28.86 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.31 111.105 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -94.94 -9.15 34.96 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.04 -0.527 . . . . 4.07 111.589 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' LYS . 4.9 mt -76.91 146.81 37.36 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.339 0.59 . . . . 1.58 111.134 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.54 -40.73 2.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.245 -0.889 . . . . 3.03 110.285 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -178.7 160.52 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.843 -0.617 . . . . 2.07 110.063 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.2 p90 -124.34 159.68 29.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.142 0.496 . . . . 1.74 110.629 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -135.06 103.31 5.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 3.6 110.538 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -81.4 144.96 31.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.636 . . . . 2.51 110.258 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 HD11 ' A' ' 40' ' ' ILE . 39.3 mt -118.84 138.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.633 -0.712 . . . . 1.7 110.511 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.719 HG23 ' CD ' ' A' ' 37' ' ' LYS . 21.0 m -163.77 31.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 2.31 110.398 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -84.5 -172.53 4.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 3.47 110.574 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.84 32.71 7.2 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.8 -0.92 . . . . 2.68 110.8 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.16 -32.81 7.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.452 . . . . 5.35 110.404 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.0 m -100.66 157.12 34.31 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.901 -0.591 . . . . 2.1 110.434 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.59 -33.12 0.72 Allowed 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 121.794 1.663 . . . . 2.27 112.635 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -127.5 139.61 52.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.789 -0.642 . . . . 3.28 110.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.719 ' CD ' HG23 ' A' ' 30' ' ' THR . 23.8 mtmm -72.54 153.88 41.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.351 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.03 -178.29 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.89 -0.595 . . . . 1.22 110.573 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 40' ' ' ILE . 37.5 t -135.39 159.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.623 -0.717 . . . . 1.14 110.153 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 39' ' ' VAL . 40.3 mt -135.48 132.15 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.716 . . . . 1.73 109.929 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.708 ' HE2' HG13 ' A' ' 58' ' ' VAL . 56.9 m-85 -111.11 147.59 34.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.308 0.575 . . . . 1.49 111.048 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.3 tttp -125.97 137.43 53.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.712 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.6 p -99.98 -166.65 1.36 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.375 -0.83 . . . . 1.89 109.98 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -97.92 30.36 3.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 3.19 110.662 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -125.03 20.67 8.24 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 2.68 111.1 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 43.85 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.297 0.57 . . . . 2.57 110.594 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -135.39 154.4 51.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 3.49 110.593 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.7 m-20 -128.29 144.0 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.653 -0.703 . . . . 2.28 110.305 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.9 mm -134.75 148.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 2.11 110.416 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.21 151.66 24.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 1.82 110.223 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -153.99 147.13 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.623 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.1 t0 -91.17 144.13 29.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.726 -0.67 . . . . 2.22 109.884 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -79.46 1.13 9.45 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 121.545 1.497 . . . . 1.21 113.537 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -110.36 22.35 15.61 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.592 -0.443 . . . . 3.39 110.98 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 179.38 4.45 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.087 0.47 . . . . 2.31 110.487 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -90.09 -57.79 2.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.77 -0.65 . . . . 3.69 110.91 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.414 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.8 p-90 -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 1.33 110.036 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HE2' ' A' ' 41' ' ' PHE . 54.8 t -70.84 -38.87 74.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 108.853 -0.795 . . . . 0.97 108.853 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.32 -47.09 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.453 -0.794 . . . . 2.67 109.214 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.82 -35.74 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.358 -0.837 . . . . 1.87 109.164 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -64.35 -53.84 42.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.356 -0.838 . . . . 1.05 109.926 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 33.8 ttm -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.225 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -65.93 -37.02 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.315 0.579 . . . . 2.73 109.878 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.764 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.4 t80 -63.42 -50.91 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.349 -0.841 . . . . 1.59 109.855 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 65' ' ' LEU . 65.8 mt -69.85 -39.88 76.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.421 0.629 . . . . 1.67 109.796 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.76 -31.23 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.14 -0.937 . . . . 1.95 110.258 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 . . . . . 0 N--CA 1.461 0.123 0 CA-C-N 116.038 -0.528 . . . . 3.11 110.611 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.132 0.492 . . . . 2.06 110.399 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.08 -31.73 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 2.43 110.438 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.56 86.32 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 3.12 110.399 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 52' ' ' ASP . 33.7 mt -63.21 140.27 58.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 1.94 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 135.71 51.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.775 -0.648 . . . . 1.66 110.431 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -102.48 -34.11 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.747 -0.66 . . . . 2.95 110.309 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -77.08 128.25 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.826 -0.625 . . . . 4.27 110.288 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 40.2 mtmt -61.44 126.0 25.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 3.18 110.504 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 58.6 mt -89.9 139.66 27.6 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.707 -0.679 . . . . 1.44 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -79.08 157.39 26.7 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.535 1.49 . . . . 1.63 112.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.759 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.0 mt -80.74 -42.52 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.362 -0.835 . . . . 1.43 110.999 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -57.95 -30.05 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 2.31 110.996 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -90.03 -12.76 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.309 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.6 145.65 50.58 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.358 0.599 . . . . 1.58 110.842 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -120.65 -41.42 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.243 -0.889 . . . . 3.03 110.252 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 t -169.21 174.16 6.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 2.07 109.942 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.709 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.7 p90 -146.04 156.71 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.102 0.477 . . . . 1.74 110.754 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -133.05 122.8 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.677 -0.692 . . . . 3.6 110.542 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG3' HG22 ' A' ' 39' ' ' VAL . 30.4 ttp180 -100.78 146.37 27.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 2.51 110.326 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 40' ' ' ILE . 53.8 mt -132.97 135.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 1.7 110.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 30' ' ' THR . 6.6 m -163.99 31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.31 110.451 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -171.22 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 3.47 110.498 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 35.68 4.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.722 -0.951 . . . . 2.68 110.722 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -115.08 -56.22 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.185 0.517 . . . . 5.35 110.44 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.6 150.74 96.76 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 2.1 110.323 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.5 -28.28 1.87 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.847 1.698 . . . . 2.27 112.566 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -132.44 107.56 8.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.69 -0.686 . . . . 3.28 110.387 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -61.4 141.42 57.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.854 -0.612 . . . . 3.31 110.468 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.53 -177.55 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.859 -0.609 . . . . 1.22 110.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 ' HG3' ' A' ' 28' ' ' ARG . 60.9 t -120.0 158.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.691 -0.686 . . . . 1.14 110.314 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 29' ' ' ILE . 6.6 mt -127.38 130.37 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.238 -0.892 . . . . 1.73 109.344 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.4 m-85 -107.58 148.16 29.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.304 0.573 . . . . 1.49 111.019 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . 72.8 mttt -124.96 130.24 51.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.35 -0.841 . . . . 2.95 109.558 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.6 p -94.11 -167.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 1.89 110.017 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -98.37 30.12 3.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.236 -0.438 . . . . 3.19 110.679 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -123.54 20.75 9.48 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.062 -0.517 . . . . 2.68 110.944 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.43 39.31 18.61 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.222 0.534 . . . . 2.57 110.572 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -138.01 144.4 41.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 3.49 110.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -111.79 156.14 22.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.783 -0.644 . . . . 2.28 110.414 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.5 mt -140.63 159.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.872 -0.604 . . . . 2.11 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 68.6 m -92.45 146.64 23.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 1.82 110.479 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.92 133.29 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 1.23 110.552 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.726 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.3 p30 -92.6 157.59 39.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.206 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 11.69 3.05 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 121.839 1.693 . . . . 1.21 113.964 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -106.1 12.68 30.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.58 -0.448 . . . . 3.39 111.502 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -100.65 156.02 17.55 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.02 0.438 . . . . 2.31 110.37 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -34.39 58.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 3.69 111.053 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 70.7 p-90 -84.92 -26.42 27.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.449 -0.501 . . . . 1.33 110.421 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.9 t -73.11 -45.47 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 N-CA-C 109.098 -0.704 . . . . 0.97 109.098 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -48.31 82.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.572 -0.74 . . . . 2.67 109.682 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -32.56 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.442 -0.799 . . . . 1.87 109.267 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -65.57 -53.95 34.79 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.478 -0.783 . . . . 1.05 110.449 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.8 ptm -62.3 -37.88 87.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.125 -0.488 . . . . 1.92 110.672 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -72.46 -35.75 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.391 0.615 . . . . 2.73 109.841 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.759 ' CD2' HD22 ' A' ' 20' ' ' LEU . 57.7 t80 -66.22 -47.45 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.297 -0.865 . . . . 1.59 109.735 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 26' ' ' TYR . 65.2 mt -64.92 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.537 0.684 . . . . 1.67 109.995 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -46.84 88.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.913 -1.039 . . . . 1.95 110.938 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 120.65 -0.42 . . . . 3.11 111.166 -179.441 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.026 0.441 . . . . 2.06 110.33 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 59.94 177.96 0.09 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.901 -0.59 . . . . 2.43 110.305 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 4.0 p-10 41.55 61.22 1.9 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.516 0.674 . . . . 3.12 111.749 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 52' ' ' ASP . 9.3 mt -59.34 140.32 56.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.467 -0.788 . . . . 1.94 110.768 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 139.42 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.582 -0.736 . . . . 1.66 110.604 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -103.12 -33.45 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.731 -0.668 . . . . 2.95 110.282 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.64 152.85 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.276 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 30.8 mttp -81.72 127.59 33.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.815 -0.63 . . . . 3.18 110.447 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.637 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.87 139.65 27.64 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.919 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.8 157.47 31.42 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 121.41 1.406 . . . . 1.63 113.036 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.816 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.1 mt -80.63 -37.51 30.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.332 -0.849 . . . . 1.43 110.927 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -59.25 -31.53 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 2.31 110.863 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -88.97 -13.25 39.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 4.07 111.298 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.84 144.45 45.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.363 0.601 . . . . 1.58 111.039 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -120.28 -41.74 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.116 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -168.35 -176.15 2.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.818 -0.628 . . . . 2.07 109.781 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -154.52 164.62 38.41 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 1.74 110.853 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -148.25 122.3 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 3.6 110.469 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 39' ' ' VAL . 11.4 ttm180 -92.63 143.57 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 2.51 110.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 40' ' ' ILE . 53.3 mt -116.06 136.1 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.4 -0.818 . . . . 1.7 110.248 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 30' ' ' THR . 17.9 m -149.46 31.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.805 -0.634 . . . . 2.31 110.447 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 132.63 46.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.467 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.2 -27.69 65.58 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.022 -0.831 . . . . 2.68 111.022 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -69.76 -32.49 71.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.026 0.441 . . . . 5.35 110.643 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.21 150.03 97.39 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.961 -0.563 . . . . 2.1 110.352 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.84 -28.01 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.864 1.709 . . . . 2.27 112.596 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -133.73 129.1 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 3.28 110.668 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 106.46 17.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.859 -0.609 . . . . 3.31 109.787 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.56 -176.76 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.322 0.582 . . . . 1.22 111.043 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 28' ' ' ARG . 89.4 t -119.43 159.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.303 -0.862 . . . . 1.14 109.86 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -126.7 130.33 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.441 -0.799 . . . . 1.73 109.368 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.627 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -106.56 147.2 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.328 0.585 . . . . 1.49 111.055 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.5 mmtp -115.94 129.05 56.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.127 -0.942 . . . . 2.95 109.212 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.3 p -98.54 -166.35 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.175 -0.466 . . . . 1.89 110.084 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -96.03 28.29 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.887 0.375 . . . . 3.19 111.016 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.72 18.54 7.99 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.291 -0.413 . . . . 2.68 111.058 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.69 35.37 22.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.147 0.499 . . . . 2.57 110.655 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -126.28 147.64 49.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 3.49 110.671 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.44 139.52 48.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.759 -0.655 . . . . 2.28 110.278 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -126.42 159.46 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 2.11 110.238 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 87.3 m -92.73 143.89 25.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.268 -0.878 . . . . 1.82 110.114 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.24 137.55 19.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 1.23 110.7 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.805 ' HB3' HD13 ' A' ' 13' ' ' LEU . 16.0 p30 -89.89 149.15 41.3 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.861 -0.609 . . . . 2.22 110.096 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.96 9.63 3.86 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 121.807 1.671 . . . . 1.21 113.897 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.18 17.52 20.89 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.554 -0.458 . . . . 3.39 111.369 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.8 174.2 6.15 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.121 0.486 . . . . 2.31 110.462 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -88.78 -47.13 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 3.69 110.592 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.637 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 65.5 p-90 -72.06 -31.01 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 1.33 110.056 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 ' O ' ' A' ' 52' ' ' ASP . 60.0 t -71.12 -40.91 75.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.307 -0.627 . . . . 0.97 109.307 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 2.67 109.528 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.81 -33.76 68.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.474 -0.785 . . . . 1.87 109.129 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -68.01 -53.03 28.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.417 -0.811 . . . . 1.05 110.446 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -34.9 79.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 1.92 110.199 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.61 66.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.374 0.607 . . . . 2.73 109.478 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.3 t80 -63.27 -49.97 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.169 -0.923 . . . . 1.59 109.906 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 26' ' ' TYR . 44.9 mt -65.5 -42.94 91.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.873 -0.603 . . . . 1.67 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.1 -32.17 72.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.404 -0.817 . . . . 1.95 110.456 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.94 -0.573 . . . . 3.11 110.727 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 40' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.141 0.496 . . . . 2.06 110.087 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -81.85 -34.7 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.357 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.09 82.79 8.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 3.12 110.465 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.526 HD13 ' CG ' ' A' ' 52' ' ' ASP . 14.1 mt -61.74 140.39 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 1.94 110.313 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -61.84 140.2 58.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 1.66 110.514 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -101.79 -38.12 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.888 -0.596 . . . . 2.95 110.194 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.75 132.33 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.682 -0.69 . . . . 4.27 109.894 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 23.5 mttt -61.81 135.05 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.606 . . . . 3.18 110.557 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.525 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.5 mt -89.74 139.73 27.85 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.86 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.26 156.12 37.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.307 1.338 . . . . 1.63 112.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' A' ' 64' ' ' TYR . 53.1 mt -80.67 -44.32 18.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.282 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.31 -28.97 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 2.31 111.18 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -90.11 -12.91 36.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 4.07 111.521 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -74.94 147.8 40.59 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.354 0.597 . . . . 1.58 111.1 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -120.95 -41.35 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.175 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.7 t -179.43 159.43 0.91 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.808 -0.633 . . . . 2.07 109.949 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.4 p90 -120.7 164.45 16.53 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.11 0.481 . . . . 1.74 110.778 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -148.75 108.68 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 3.6 110.366 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -79.79 148.81 31.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.457 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -119.85 139.7 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 1.7 110.163 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.81 32.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.846 -0.615 . . . . 2.31 110.46 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -63.73 -172.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 3.47 110.359 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.16 31.64 7.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.811 -0.916 . . . . 2.68 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -120.45 -43.28 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.108 0.48 . . . . 5.35 110.55 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.07 150.77 96.18 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.74 -0.664 . . . . 2.1 110.377 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.36 -27.9 2.09 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.855 1.703 . . . . 2.27 112.581 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -135.33 146.83 48.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.791 -0.641 . . . . 3.28 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -83.54 153.15 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.786 -0.643 . . . . 3.31 110.455 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.02 -177.73 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 1.22 110.427 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.6 t -123.56 157.25 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.501 0.667 . . . . 1.14 110.382 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.595 HD13 ' O ' ' A' ' 39' ' ' VAL . 18.9 mm -127.96 131.08 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.093 -0.958 . . . . 1.73 109.281 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -110.44 147.62 33.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.375 0.607 . . . . 1.49 110.96 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 23' ' ' LEU . 20.7 mtmm -123.53 132.01 53.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.285 -0.871 . . . . 2.95 109.902 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -90.15 -167.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.632 -0.713 . . . . 1.89 109.969 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 29.94 2.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.014 0.435 . . . . 3.19 110.641 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.99 20.46 6.43 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.094 -0.503 . . . . 2.68 110.854 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 50.02 5.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.317 0.579 . . . . 2.57 110.533 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -137.66 150.63 47.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 3.49 110.529 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.49 140.67 49.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.72 -0.673 . . . . 2.28 110.306 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' CYS . 36.6 mm -126.41 159.61 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 2.11 110.359 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 49' ' ' ILE . 56.0 m -91.64 143.7 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 1.82 110.051 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.72 36.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.244 0.545 . . . . 1.23 110.695 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -109.57 151.92 42.5 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.582 -0.736 . . . . 2.22 109.972 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.18 6.83 5.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 121.792 1.661 . . . . 1.21 113.547 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -110.35 16.28 21.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.667 -0.413 . . . . 3.39 111.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.0 mptt -100.66 157.26 16.81 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.108 0.48 . . . . 2.31 110.465 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -77.86 -35.4 51.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.834 -0.621 . . . . 3.69 110.655 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.2 p-90 -79.61 -27.1 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 1.33 110.475 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 89.2 t -73.65 -42.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.054 -0.721 . . . . 0.97 109.054 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -62.82 -48.15 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.579 -0.737 . . . . 2.67 109.556 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -65.26 -33.72 76.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 1.87 109.342 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -65.31 -53.7 40.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.513 -0.767 . . . . 1.05 109.963 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.8 ttt -60.5 -42.43 96.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.914 -0.585 . . . . 1.92 110.414 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.99 -40.25 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.323 0.582 . . . . 2.73 109.687 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' CG ' HD22 ' A' ' 20' ' ' LEU . 67.7 t80 -61.47 -49.14 77.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.224 -0.898 . . . . 1.59 110.079 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.0 mt -62.17 -40.37 95.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 1.67 110.292 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -44.82 95.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.842 . . . . 1.95 110.097 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.482 -0.781 . . . . 3.11 112.201 179.675 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.022 0.439 . . . . 2.06 111.185 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 62.37 32.38 16.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.279 0.562 . . . . 2.43 110.032 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -168.71 79.04 0.13 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.446 -0.797 . . . . 3.12 109.639 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 52' ' ' ASP . 32.5 mt -68.75 157.57 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.499 -0.773 . . . . 1.94 110.847 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.46 172.86 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.648 -0.706 . . . . 1.66 110.741 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.68 -46.39 1.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.647 -0.706 . . . . 2.95 110.352 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -73.87 128.56 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 4.27 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -61.48 136.51 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 3.18 110.747 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.8 mt -90.0 139.76 27.46 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.563 -0.744 . . . . 1.44 109.742 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -77.03 155.47 33.74 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.357 1.371 . . . . 1.63 112.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.6 mt -80.8 -43.18 20.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.163 -0.926 . . . . 1.43 111.172 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.73 -29.67 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 2.31 111.039 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -94.43 -10.41 32.52 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.046 -0.524 . . . . 4.07 111.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -74.62 140.33 44.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.286 0.565 . . . . 1.58 110.934 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -111.49 -38.35 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.463 -0.789 . . . . 3.03 110.126 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -179.98 173.12 0.99 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.634 -0.712 . . . . 2.07 109.94 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 12.1 p90 -135.82 160.69 37.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.141 0.496 . . . . 1.74 110.732 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -139.95 128.71 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 3.6 110.495 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.3 ttm180 -104.35 143.5 32.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.811 -0.632 . . . . 2.51 110.327 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 40' ' ' ILE . 49.3 mt -113.76 134.43 56.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.507 -0.77 . . . . 1.7 110.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.17 30.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 2.31 110.484 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -73.98 -172.92 1.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 3.47 110.551 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 -24.36 37.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.216 -0.753 . . . . 2.68 111.216 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -69.5 -32.19 70.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.03 0.443 . . . . 5.35 110.64 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.52 142.86 58.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.425 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.62 -30.09 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.688 1.592 . . . . 2.27 112.26 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -131.08 -177.15 4.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 3.28 110.378 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -104.64 159.28 15.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.899 -0.591 . . . . 3.31 110.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 1.22 110.648 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 40' ' ' ILE . 45.9 t -142.41 159.38 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.614 -0.721 . . . . 1.14 110.251 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 49' ' ' ILE . 45.9 mt -136.3 130.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 1.73 109.715 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.689 ' HE2' HG13 ' A' ' 58' ' ' VAL . 50.4 m-85 -108.6 147.98 31.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.452 0.644 . . . . 1.49 111.278 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.23 131.09 55.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.228 -0.896 . . . . 2.95 109.433 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 p -101.66 -167.65 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 1.89 110.261 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 30.12 3.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 3.19 110.747 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.76 20.3 9.34 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.055 -0.52 . . . . 2.68 110.994 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.79 20.69 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.953 0.406 . . . . 2.57 110.727 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -131.2 150.23 52.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.059 -0.519 . . . . 3.49 110.538 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -116.55 152.15 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.682 -0.69 . . . . 2.28 110.245 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.9 mt -134.86 159.58 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.606 . . . . 2.11 110.236 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.0 m -100.05 144.68 28.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.481 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -153.21 146.92 25.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.647 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.1 p30 -95.5 154.99 39.16 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.829 -0.623 . . . . 2.22 110.257 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.36 6.61 5.49 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 121.709 1.606 . . . . 1.21 113.567 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.89 18.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.633 -0.427 . . . . 3.39 111.274 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.38 169.98 8.73 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.065 0.46 . . . . 2.31 110.398 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -84.97 -47.56 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 3.69 110.744 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -74.36 -27.51 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.33 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.711 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.6 t -74.53 -40.73 48.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.179 -0.675 . . . . 0.97 109.179 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.51 -48.04 79.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 2.67 109.569 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -35.18 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.437 -0.801 . . . . 1.87 109.271 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.98 -52.5 59.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.413 -0.812 . . . . 1.05 109.979 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 29.5 mtp -61.44 -44.44 97.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 1.92 110.366 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -64.91 -37.38 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.337 0.589 . . . . 2.73 109.556 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' CD2' HD22 ' A' ' 20' ' ' LEU . 55.9 t80 -63.8 -53.71 46.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.277 -0.874 . . . . 1.59 109.546 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 65' ' ' LEU . 75.4 mt -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 1.67 110.033 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.63 -37.34 86.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 1.95 109.991 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 . . . . . 0 CA--C 1.533 0.291 0 CA-C-N 115.631 -0.713 . . . . 3.11 111.535 179.789 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 121.134 0.492 . . . . 2.06 110.407 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -109.32 -32.59 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.735 -0.666 . . . . 2.43 110.466 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.48 86.67 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 3.12 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 52' ' ' ASP . 17.7 mt -66.04 140.62 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 1.94 110.391 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 142.71 56.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.66 110.48 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -103.83 -36.25 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 2.95 110.318 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.98 147.11 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 4.27 110.248 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.5 mttt -77.02 129.18 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 3.18 110.54 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.601 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.88 139.92 27.66 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.66 -0.7 . . . . 1.44 109.91 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.5 156.35 32.27 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.38 1.387 . . . . 1.63 112.918 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.9 mt -80.71 -41.19 24.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.162 -0.926 . . . . 1.43 111.202 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 2.31 111.107 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -91.29 -11.72 37.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 4.07 111.591 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.6 mt -75.17 146.95 40.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.469 0.652 . . . . 1.58 111.049 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -119.03 -40.82 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.252 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -179.89 160.54 0.9 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.763 -0.653 . . . . 2.07 109.915 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 62' ' ' MET . 12.4 p90 -124.58 157.55 35.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.146 0.498 . . . . 1.74 110.814 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -134.15 100.52 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 3.6 110.328 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -64.97 147.09 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.835 -0.621 . . . . 2.51 110.486 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 38' ' ' ALA . 1.4 mt -104.63 -159.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.875 -0.787 . . . . 1.7 108.875 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.507 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 71.93 31.23 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.092 0.473 . . . . 2.31 110.083 -179.447 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t -69.53 -32.99 72.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.771 -0.649 . . . . 3.47 110.354 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.3 -31.02 1.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 2.68 110.879 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.87 48.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 5.35 110.52 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.75 151.08 82.26 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.952 -0.567 . . . . 2.1 110.475 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.69 -38.73 0.16 Allowed 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 121.905 1.736 . . . . 2.27 112.672 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -107.33 171.93 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.717 -0.674 . . . . 3.28 110.54 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -110.03 144.09 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.435 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 29' ' ' ILE . . . -178.11 -177.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.958 -0.565 . . . . 1.22 110.547 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 47.0 t -129.14 158.97 41.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.806 -0.634 . . . . 1.14 110.135 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.5 ' N ' HG12 ' A' ' 39' ' ' VAL . 33.1 mt -127.48 137.56 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.539 -0.755 . . . . 1.73 109.627 179.353 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.658 ' HE2' HG13 ' A' ' 58' ' ' VAL . 35.8 m-85 -117.17 148.4 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.403 0.62 . . . . 1.49 111.27 -179.251 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 23' ' ' LEU . 21.3 ttpt -122.37 139.4 53.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.112 -0.949 . . . . 2.95 109.558 179.179 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.5 p -108.52 -172.85 2.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.485 -0.779 . . . . 1.89 110.357 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -81.33 -1.63 46.07 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.008 -0.542 . . . . 3.19 111.695 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.86 19.82 9.67 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.704 -0.398 . . . . 2.68 111.234 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.26 30.76 19.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.99 0.424 . . . . 2.57 110.869 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.35 160.7 23.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 3.49 110.311 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.595 ' C ' HD12 ' A' ' 49' ' ' ILE . 43.6 m-20 -124.87 154.72 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.66 -0.7 . . . . 2.28 110.517 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.3 mp -141.19 159.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.441 0.639 . . . . 2.11 110.119 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 81.6 m -94.56 140.04 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.248 -0.887 . . . . 1.82 110.451 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.97 145.54 32.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 1.23 110.759 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.77 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -93.76 152.41 40.68 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.725 -0.671 . . . . 2.22 110.187 179.807 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 6.92 5.37 Favored 'Trans proline' 0 N--CA 1.476 0.452 0 C-N-CA 121.754 1.636 . . . . 1.21 113.61 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -110.23 16.81 21.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.602 -0.439 . . . . 3.39 111.413 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -100.63 161.25 13.72 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.112 0.482 . . . . 2.31 110.457 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -79.09 -43.95 23.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 3.69 110.75 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.601 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -73.72 -28.23 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 1.33 110.396 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 52' ' ' ASP . 73.0 t -73.79 -40.55 53.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.162 -0.681 . . . . 0.97 109.162 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.2 -47.6 79.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.604 -0.725 . . . . 2.67 109.563 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -66.77 -34.47 77.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 1.87 109.272 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.5 m -64.72 -52.5 56.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.406 -0.816 . . . . 1.05 109.915 179.486 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 2.6 ttm -61.86 -44.52 96.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.767 -0.651 . . . . 1.92 110.44 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -65.64 -36.54 83.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.373 0.606 . . . . 2.73 109.708 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 20' ' ' LEU . 47.0 t80 -63.59 -52.5 60.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.275 -0.875 . . . . 1.59 109.792 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 65' ' ' LEU . 71.9 mt -66.26 -40.91 90.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.735 -0.666 . . . . 1.67 110.129 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.55 -32.82 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.297 -0.865 . . . . 1.95 110.24 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 3.11 110.451 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.198 0.523 . . . . 2.06 110.56 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.01 -47.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.582 -0.735 . . . . 2.43 110.299 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.45 70.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 3.12 110.079 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD13 ' CG ' ' A' ' 52' ' ' ASP . 8.4 mt -60.15 140.77 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.745 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.66 58.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.66 110.333 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -92.98 -45.05 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 2.95 110.27 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.04 166.06 16.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.605 -0.725 . . . . 4.27 110.094 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -97.38 137.4 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 3.18 110.51 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.3 mt -89.72 139.84 27.91 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.685 -0.689 . . . . 1.44 109.823 179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.25 155.49 32.91 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 121.426 1.418 . . . . 1.63 113.122 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.5 mt -80.73 -43.62 19.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.041 -0.981 . . . . 1.43 111.113 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -57.55 -29.8 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.145 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -95.14 -9.64 32.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.586 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.0 147.7 44.9 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.515 0.674 . . . . 1.58 111.108 -179.43 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.33 -41.37 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.104 -0.953 . . . . 3.03 110.196 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -179.29 161.59 1.11 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.852 -0.613 . . . . 2.07 109.818 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -127.2 156.57 41.63 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.186 0.517 . . . . 1.74 110.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.13 115.61 14.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 3.6 110.378 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' HG22 ' A' ' 39' ' ' VAL . 13.7 ttt-85 -101.51 149.6 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.461 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.32 142.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 1.7 110.239 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t -158.83 29.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 2.31 110.597 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -86.67 -171.49 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 3.47 110.4 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.53 33.55 6.12 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.735 -0.946 . . . . 2.68 110.735 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -112.11 -37.35 5.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.107 0.48 . . . . 5.35 110.492 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.4 m -91.6 153.87 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 2.1 110.5 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.75 -27.46 2.59 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 121.89 1.727 . . . . 2.27 112.553 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -136.63 139.42 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.633 . . . . 3.28 110.441 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -74.76 118.15 17.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 3.31 110.396 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.23 -178.4 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 1.22 110.533 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.8 t -132.91 158.97 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.661 -0.7 . . . . 1.14 110.246 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 49' ' ' ILE . 43.4 mt -134.53 130.5 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.465 -0.789 . . . . 1.73 109.562 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -109.72 148.18 31.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 1.49 110.988 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 23' ' ' LEU . 15.7 ttmm -126.33 140.61 52.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.368 -0.833 . . . . 2.95 109.91 179.276 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -100.93 -170.13 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.416 -0.811 . . . . 1.89 110.132 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -3.76 57.65 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.132 -0.485 . . . . 3.19 111.426 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.23 20.97 8.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.732 -0.387 . . . . 2.68 111.252 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.56 32.02 21.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.046 0.451 . . . . 2.57 110.933 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -115.1 146.05 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 3.49 110.324 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.639 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.5 m-20 -116.9 145.69 43.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.976 -0.556 . . . . 2.28 110.491 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 48' ' ' ASP . 41.6 mm -135.65 156.4 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.61 -0.723 . . . . 2.11 110.058 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' HG22 ' A' ' 49' ' ' ILE . 23.5 m -90.26 151.37 21.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.881 -0.6 . . . . 1.82 110.38 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.77 148.91 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.817 -0.629 . . . . 1.23 110.778 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.674 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.4 t0 -96.29 147.23 32.64 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.637 -0.71 . . . . 2.22 109.86 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -81.12 6.81 5.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.628 1.552 . . . . 1.21 113.613 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -110.23 18.95 19.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.809 -0.357 . . . . 3.39 111.023 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -100.67 170.0 8.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.08 0.467 . . . . 2.31 110.381 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.23 -44.43 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 3.69 110.522 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.486 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.2 p-90 -73.4 -30.09 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.278 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.8 t -72.66 -40.18 61.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 0.97 109.324 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.3 -40.9 86.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 2.67 109.621 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -33.51 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 1.87 109.182 178.559 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.9 m -68.2 -52.44 34.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.368 -0.833 . . . . 1.05 110.524 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -34.66 78.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 1.92 110.291 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -71.76 -36.97 70.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.401 0.62 . . . . 2.73 109.566 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 20' ' ' LEU . 51.1 t80 -64.98 -51.9 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.247 -0.888 . . . . 1.59 109.595 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 65' ' ' LEU . 63.3 mt -64.44 -40.65 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.657 -0.702 . . . . 1.67 110.122 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.45 -34.28 73.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 1.95 109.915 179.26 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 CA--C 1.532 0.28 0 CA-C-N 115.491 -0.777 . . . . 3.11 111.485 179.708 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.212 0.529 . . . . 2.06 110.694 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -138.24 -47.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 2.43 110.286 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -80.04 78.3 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.719 -0.673 . . . . 3.12 110.286 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 51' ' ' ALA . 6.9 mt -60.74 143.35 54.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.662 -0.699 . . . . 1.94 110.577 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 139.31 57.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.636 . . . . 1.66 110.685 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.6 -33.71 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 2.95 110.241 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -81.18 129.42 34.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.761 -0.654 . . . . 4.27 110.294 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -60.51 135.44 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 3.18 110.713 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.5 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 66.0 mt -90.0 140.24 27.54 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.752 -0.658 . . . . 1.44 109.901 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -78.33 156.65 29.26 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.464 1.442 . . . . 1.63 113.06 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.6 mt -80.86 -43.36 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.287 -0.87 . . . . 1.43 111.201 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -57.16 -29.91 64.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 2.31 111.143 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -93.56 -9.37 38.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 4.07 111.606 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.8 mt -74.69 148.48 40.52 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.494 0.664 . . . . 1.58 111.3 -179.426 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -122.69 -41.78 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.094 -0.957 . . . . 3.03 110.226 179.45 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -179.66 150.72 0.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.857 -0.611 . . . . 2.07 109.991 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 8.6 p90 -115.97 172.1 7.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.11 0.481 . . . . 1.74 110.655 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -154.77 142.82 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 3.6 110.485 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 26.4 ttp180 -115.89 141.67 47.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 2.51 110.403 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 56.2 mt -120.86 144.36 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.48 -0.782 . . . . 1.7 110.302 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -169.55 34.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.345 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -172.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 3.47 110.523 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -29.49 8.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.995 -0.842 . . . . 2.68 110.995 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.85 71.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.47 . . . . 5.35 110.415 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.9 151.77 95.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.787 -0.642 . . . . 2.1 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' O ' ' NE2' ' A' ' 36' ' ' GLN . 41.1 Cg_endo -82.43 -36.96 0.24 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.926 1.751 . . . . 2.27 112.538 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 35' ' ' PRO . 33.0 mm-40 -134.12 175.11 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.608 -0.724 . . . . 3.28 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -119.77 152.66 36.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 3.31 110.579 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.78 -174.47 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.786 -0.643 . . . . 1.22 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 42.3 t -119.83 158.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.366 0.603 . . . . 1.14 110.301 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.2 mp -135.76 129.83 48.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.285 -0.871 . . . . 1.73 109.637 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' HE2' HG13 ' A' ' 58' ' ' VAL . 57.3 m-85 -106.74 146.78 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 1.49 110.981 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -122.01 129.09 52.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 2.95 109.869 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -89.8 -173.41 3.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 1.89 110.029 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -97.24 30.92 2.62 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.322 -0.399 . . . . 3.19 110.759 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.56 23.06 6.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 2.68 110.685 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 42.13 11.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.229 0.537 . . . . 2.57 110.338 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -135.57 151.31 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 3.49 110.543 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -126.18 153.16 45.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.801 -0.636 . . . . 2.28 110.132 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.7 mt -139.36 159.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 2.11 110.349 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.1 m -93.87 148.35 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 1.82 110.142 179.818 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.626 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -153.4 153.37 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.233 0.539 . . . . 1.23 111.023 -179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.644 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -99.2 145.72 30.49 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.504 -0.771 . . . . 2.22 109.805 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -79.76 3.41 7.58 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 121.539 1.493 . . . . 1.21 113.521 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -110.38 23.07 14.74 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.632 -0.427 . . . . 3.39 111.049 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.6 mmtp -100.5 170.12 8.61 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.103 0.478 . . . . 2.31 110.35 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -29.77 20.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.947 -0.569 . . . . 3.69 110.692 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.5 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -88.17 -28.9 20.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 120.508 -0.477 . . . . 1.33 110.094 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.0 t -72.32 -45.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.041 -0.527 . . . . 0.97 109.61 179.153 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 2.67 109.701 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -34.09 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.616 -0.72 . . . . 1.87 109.064 178.428 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -66.99 -55.34 14.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.398 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -33.31 74.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.097 -0.501 . . . . 1.92 110.176 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -69.35 -39.39 78.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.424 0.63 . . . . 2.73 109.582 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.866 ' CD2' HD22 ' A' ' 20' ' ' LEU . 39.6 t80 -63.46 -53.83 45.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.126 -0.943 . . . . 1.59 109.537 179.288 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 76.7 mt -62.61 -40.33 96.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.787 . . . . 1.67 110.151 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.43 -35.37 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.34 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.815 -0.63 . . . . 3.11 110.515 -179.879 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.238 0.542 . . . . 2.06 110.735 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 35' ' ' PRO . 47.1 m-85 -129.76 -46.77 1.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.672 -0.695 . . . . 2.43 110.364 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -73.89 90.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 3.12 110.55 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.533 HD13 ' OD1' ' A' ' 52' ' ' ASP . 16.6 mt -82.44 143.06 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.406 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -68.11 155.3 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.867 -0.606 . . . . 1.66 110.632 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.05 -40.73 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.746 -0.661 . . . . 2.95 110.269 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -64.24 165.2 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.649 -0.705 . . . . 4.27 110.4 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.6 mtmt -100.09 123.68 44.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 3.18 110.314 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.5 mt -89.95 140.11 27.6 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.766 -0.652 . . . . 1.44 110.03 -179.833 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.3 Cg_endo -79.99 159.47 24.04 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.611 1.541 . . . . 1.63 112.88 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 64' ' ' TYR . 43.3 mt -80.8 -43.49 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.389 -0.823 . . . . 1.43 111.106 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.47 -30.06 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 2.31 111.148 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -90.35 -13.36 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 4.07 111.366 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -69.58 142.13 53.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.283 0.563 . . . . 1.58 111.062 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.36 -0.836 . . . . 3.03 109.893 179.37 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 p -169.79 -178.79 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.658 . . . . 2.07 109.77 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.74 146.31 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 1.74 110.928 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -123.31 118.58 27.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.358 -0.837 . . . . 3.6 110.263 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -86.64 148.67 25.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 2.51 110.847 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 40' ' ' ILE . 2.6 mm -93.31 -153.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.564 -0.902 . . . . 1.7 108.564 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 37' ' ' LYS . 1.7 m 78.52 43.69 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.605 0.717 . . . . 2.31 109.666 -179.239 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -59.77 -160.16 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.993 -1.003 . . . . 3.47 110.413 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.88 -33.67 3.65 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.517 -0.311 . . . . 2.68 112.495 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.58 67.27 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.131 -0.628 . . . . 5.35 111.6 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.58 157.31 82.44 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.439 -0.578 . . . . 2.1 109.439 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 40.4 Cg_endo -81.61 -32.2 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 121.691 1.594 . . . . 2.27 112.559 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -140.2 120.33 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.8 -0.636 . . . . 3.28 110.556 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' HG23 ' A' ' 30' ' ' THR . 36.3 mtmt -63.21 154.81 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 3.31 110.04 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 -171.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.136 0.493 . . . . 1.22 110.85 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 40' ' ' ILE . 91.8 t -145.3 160.32 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 1.14 109.755 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.809 HG13 HD11 ' A' ' 29' ' ' ILE . 45.3 mt -131.33 135.86 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.73 109.771 179.237 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' A' ' 58' ' ' VAL . 45.9 m-85 -113.22 156.92 22.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.328 0.585 . . . . 1.49 110.851 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 23' ' ' LEU . 33.7 mttt -136.27 130.86 33.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.362 -0.836 . . . . 2.95 109.676 179.426 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -93.53 -163.44 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.7 -0.682 . . . . 1.89 109.863 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 28.55 2.81 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.893 0.378 . . . . 3.19 111.014 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.29 19.44 9.8 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.302 -0.408 . . . . 2.68 110.957 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.9 33.94 21.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.08 0.467 . . . . 2.57 110.569 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -122.94 142.68 50.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 3.49 110.597 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.2 m-20 -115.01 140.85 48.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.815 -0.63 . . . . 2.28 110.416 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 36.9 mm -135.01 135.51 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 2.11 110.21 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -73.78 155.54 38.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.141 0.496 . . . . 1.82 110.452 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -152.11 147.99 27.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.747 -0.661 . . . . 1.23 110.856 -179.37 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.661 ' O ' HG11 ' A' ' 58' ' ' VAL . 4.0 t0 -89.89 145.72 33.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.684 -0.689 . . . . 2.22 109.441 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.63 4.58 6.55 Favored 'Trans proline' 0 N--CA 1.476 0.461 0 C-N-CA 121.529 1.486 . . . . 1.21 113.72 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -110.19 21.46 16.72 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.703 -0.399 . . . . 3.39 110.907 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.43 165.06 11.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.046 0.45 . . . . 2.31 110.347 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -80.54 -44.7 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 3.69 110.562 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.1 p-90 -75.8 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 1.33 110.256 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.661 HG11 ' O ' ' A' ' 52' ' ' ASP . 46.9 t -74.76 -40.49 46.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.725 -0.472 . . . . 0.97 109.725 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 2.67 109.721 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.7 -33.23 64.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.544 -0.753 . . . . 1.87 109.321 178.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.6 m -69.07 -49.35 58.11 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.467 -0.788 . . . . 1.05 110.628 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -68.02 -36.48 80.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 1.92 110.087 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -71.06 -36.09 72.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.374 0.607 . . . . 2.73 109.603 179.273 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 20' ' ' LEU . 31.6 t80 -63.61 -51.29 65.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.171 -0.922 . . . . 1.59 109.788 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 26' ' ' TYR . 59.2 mt -66.38 -42.13 88.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.67 110.102 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.15 -32.01 72.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.35 -0.841 . . . . 1.95 110.257 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 3.11 110.383 179.869 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 121.144 0.497 . . . . 2.06 110.318 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.05 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 2.43 110.105 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 60.14 83.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 3.12 110.419 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 52' ' ' ASP . 9.1 mt -59.43 140.2 56.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.701 -0.681 . . . . 1.94 110.662 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.74 132.78 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.633 -0.712 . . . . 1.66 110.431 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 2.95 110.219 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -67.55 169.37 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 4.27 110.21 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -99.81 142.84 30.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.071 -0.714 . . . . 3.18 109.071 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.646 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 64.9 mt -106.63 139.75 20.66 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.748 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.6 155.5 35.66 Favored 'Trans proline' 0 N--CA 1.477 0.503 0 C-N-CA 121.382 1.388 . . . . 1.63 113.028 -179.879 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 64' ' ' TYR . 54.5 mt -80.86 -49.49 10.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.114 -0.948 . . . . 1.43 111.342 -179.212 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -55.55 -28.36 54.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 2.31 111.504 -179.162 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -89.54 -14.81 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 4.07 111.411 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -71.48 145.74 49.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.296 0.569 . . . . 1.58 111.105 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -117.28 -40.17 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.37 -0.832 . . . . 3.03 110.255 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -178.64 160.42 1.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.871 -0.604 . . . . 2.07 109.929 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 25.6 p90 -123.97 155.78 37.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.153 0.502 . . . . 1.74 110.914 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 40' ' ' ILE . 34.9 mmt-85 -135.37 124.88 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 3.6 110.244 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -105.73 149.47 26.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.557 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.1 mt -120.28 138.34 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.672 . . . . 1.7 110.275 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.76 30.17 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 2.31 110.519 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -88.21 -173.33 4.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.014 -0.539 . . . . 3.47 110.467 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.68 30.61 10.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.793 -0.923 . . . . 2.68 110.793 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -111.74 -35.73 5.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.061 0.458 . . . . 5.35 110.437 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -86.57 157.24 55.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 2.1 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.38 -26.98 2.45 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 121.848 1.699 . . . . 2.27 112.632 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -145.7 132.39 19.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 3.28 110.467 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -67.33 157.8 33.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 3.31 110.366 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.26 -178.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 1.22 110.483 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 40' ' ' ILE . 44.2 t -123.85 158.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.238 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.6 mp -133.38 130.27 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.525 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.671 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -109.41 148.11 31.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 1.49 111.044 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 23' ' ' LEU . 14.4 tttp -128.26 139.03 52.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.327 -0.851 . . . . 2.95 109.755 179.445 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -99.02 -166.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.341 -0.845 . . . . 1.89 110.034 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -97.31 29.0 3.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 3.19 110.845 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mt -126.29 21.6 7.28 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.186 -0.461 . . . . 2.68 110.905 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.51 42.27 11.54 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.239 0.543 . . . . 2.57 110.483 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -129.78 155.07 46.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.806 -0.634 . . . . 3.49 110.404 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.719 ' O ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-20 -130.52 147.21 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 2.28 110.383 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.2 mm -136.42 156.61 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 2.11 110.308 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 49' ' ' ILE . 71.9 m -93.59 142.2 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.612 . . . . 1.82 110.316 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -148.77 151.31 34.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.837 -0.62 . . . . 1.23 110.799 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.664 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.7 t0 -97.63 147.89 33.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.554 -0.748 . . . . 2.22 109.864 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -80.19 4.96 6.36 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 121.609 1.539 . . . . 1.21 113.538 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -109.75 22.01 16.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.732 -0.387 . . . . 3.39 110.815 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -100.51 169.61 8.95 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.079 0.466 . . . . 2.31 110.286 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -40.83 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 3.69 110.755 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.646 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.9 p-90 -80.98 -27.57 35.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 1.33 110.527 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.671 HG13 ' CE2' ' A' ' 41' ' ' PHE . 65.0 t -73.89 -42.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.191 -0.67 . . . . 0.97 109.191 178.791 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -62.22 -48.41 80.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.561 -0.745 . . . . 2.67 109.604 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 1.87 109.284 178.663 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -63.92 -52.49 59.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.331 -0.85 . . . . 1.05 110.093 179.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.4 ttm -60.11 -43.16 95.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.85 -0.614 . . . . 1.92 110.467 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -65.66 -40.25 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.358 0.599 . . . . 2.73 109.751 179.489 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CD2' HD22 ' A' ' 20' ' ' LEU . 66.7 t80 -63.92 -51.13 65.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.276 -0.875 . . . . 1.59 109.572 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 65' ' ' LEU . 72.0 mt -64.52 -40.8 96.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 1.67 110.222 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.96 -35.35 78.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 1.95 110.247 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.758 -0.656 . . . . 3.11 110.713 179.941 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.112 0.482 . . . . 2.06 110.364 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -107.12 32.9 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.621 . . . . 2.43 110.388 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -161.34 81.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 3.12 110.525 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 52' ' ' ASP . 29.2 mt -61.35 140.09 58.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.826 -0.624 . . . . 1.94 110.409 179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 127.89 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 1.66 110.497 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -91.33 -33.47 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 2.95 110.183 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -66.41 162.0 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.093 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -95.3 136.89 35.09 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.127 -0.694 . . . . 3.18 109.127 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.9 mt -104.83 139.92 20.57 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.549 -0.75 . . . . 1.44 109.765 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.59 154.03 30.75 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.332 1.355 . . . . 1.63 113.185 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' LEU . 76.3 mt -80.82 -43.12 20.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.077 -0.965 . . . . 1.43 111.126 -179.525 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -57.54 -29.92 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.651 . . . . 2.31 111.207 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -90.31 -13.57 34.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 4.07 111.348 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -68.53 146.34 53.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.343 0.592 . . . . 1.58 111.142 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.5 -41.64 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.266 -0.879 . . . . 3.03 110.158 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t 179.71 149.5 0.31 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.794 -0.639 . . . . 2.07 109.999 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -111.88 155.63 23.33 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.547 -0.461 . . . . 1.74 110.704 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -128.04 101.35 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 3.6 110.468 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 39' ' ' VAL . 26.5 ttm180 -77.65 146.88 35.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 2.51 110.387 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 40' ' ' ILE . 43.6 mt -116.11 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.623 -0.717 . . . . 1.7 110.332 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t 178.81 39.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 2.31 110.376 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -80.95 -56.15 4.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 3.47 110.622 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.75 -24.81 1.48 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.037 -0.825 . . . . 2.68 111.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -69.46 -28.85 66.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.921 0.391 . . . . 5.35 110.703 -179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.81 157.9 71.24 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.229 -0.441 . . . . 2.1 110.293 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -81.66 -25.64 3.56 Favored 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 121.876 1.718 . . . . 2.27 112.758 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -143.52 151.08 39.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 3.28 110.471 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -82.79 148.38 27.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 3.31 110.41 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.81 -177.32 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.42 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.4 t -128.16 158.49 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 1.14 110.516 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 29' ' ' ILE . 50.5 mt -131.28 139.06 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.267 -0.879 . . . . 1.73 109.51 179.172 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.599 ' CE2' HG13 ' A' ' 58' ' ' VAL . 29.5 m-85 -118.27 146.95 43.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.335 0.588 . . . . 1.49 111.029 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.747 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.6 ttmt -127.9 140.0 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 2.95 109.819 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 p -104.01 -166.67 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.312 -0.858 . . . . 1.89 109.96 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -97.79 29.11 3.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.964 0.412 . . . . 3.19 110.605 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.69 20.51 10.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.122 -0.49 . . . . 2.68 110.924 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.87 42.03 13.65 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.221 0.534 . . . . 2.57 110.622 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -135.96 160.59 38.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 3.49 110.358 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -134.77 154.62 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.492 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.9 mt -142.09 159.57 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 2.11 110.308 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.2 m -95.9 139.44 32.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 1.82 110.324 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -138.45 145.72 41.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 1.23 110.623 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 11.5 p-10 -90.37 150.93 43.82 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.755 -0.657 . . . . 2.22 110.236 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.56 6.49 5.6 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 121.781 1.654 . . . . 1.21 113.571 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -110.21 19.89 18.42 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.566 -0.454 . . . . 3.39 111.217 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.6 mmtm -100.6 162.38 12.97 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.079 0.466 . . . . 2.31 110.4 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -82.63 -37.25 25.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.851 -0.613 . . . . 3.69 110.55 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.522 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -81.23 -30.37 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 1.33 110.247 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG11 ' O ' ' A' ' 52' ' ' ASP . 93.9 t -70.59 -45.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 109.327 -0.62 . . . . 0.97 109.327 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.13 -46.84 88.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 2.67 109.736 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.48 -33.08 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.428 -0.806 . . . . 1.87 109.205 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.7 m -65.06 -54.64 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.403 -0.817 . . . . 1.05 110.457 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE2' HG12 ' A' ' 58' ' ' VAL . 20.2 ptp -61.45 -38.25 86.5 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.526 -0.47 . . . . 1.92 110.599 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -70.77 -37.84 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.365 0.602 . . . . 2.73 109.878 179.52 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.7 t80 -66.58 -49.05 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 1.59 109.661 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 65' ' ' LEU . 67.5 mt -65.75 -40.58 92.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 1.67 110.145 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.35 -35.89 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.328 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 3.11 110.404 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.461 0.114 0 CA-C-O 121.268 0.556 . . . . 2.06 110.715 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -135.8 160.22 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 2.43 110.061 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.17 68.25 0.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.522 0.677 . . . . 3.12 110.218 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ASP . 9.6 mt -62.71 145.4 54.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 1.94 110.557 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 145.03 46.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 1.66 110.682 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -105.65 -36.99 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.817 -0.628 . . . . 2.95 110.339 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -68.23 154.73 41.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.207 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.1 mttp -86.32 127.62 34.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 3.18 110.649 -179.875 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.598 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 68.3 mt -89.78 140.14 27.85 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.623 -0.717 . . . . 1.44 109.767 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.19 155.95 37.67 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.379 1.386 . . . . 1.63 113.119 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.4 mt -80.68 -42.84 21.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.131 -0.941 . . . . 1.43 111.24 -179.375 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.55 -29.89 64.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.893 -0.594 . . . . 2.31 111.18 -179.415 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -13.94 39.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 4.07 111.459 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -74.98 153.33 38.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.564 0.697 . . . . 1.58 111.639 -179.18 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -42.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.755 -1.111 . . . . 3.03 110.179 179.44 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -167.22 177.58 6.08 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.844 -0.616 . . . . 2.07 109.846 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -149.0 158.22 44.02 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.315 -0.554 . . . . 1.74 111.202 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.1 mtt-85 -134.98 119.04 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.521 -0.763 . . . . 3.6 110.186 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -89.17 150.43 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 2.51 110.703 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CG1' HD11 ' A' ' 40' ' ' ILE . 43.0 mm -111.39 138.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.644 -0.707 . . . . 1.7 110.195 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -159.25 31.01 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.869 -0.605 . . . . 2.31 110.392 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.12 132.03 39.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.842 -0.617 . . . . 3.47 110.528 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.89 -26.27 65.14 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.122 -0.791 . . . . 2.68 111.122 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.71 -35.91 75.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.031 0.443 . . . . 5.35 110.536 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.41 151.09 88.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 2.1 110.312 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -81.43 -27.61 2.68 Favored 'Trans proline' 0 N--CA 1.473 0.288 0 C-N-CA 121.892 1.728 . . . . 2.27 112.497 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -150.37 134.2 16.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.807 -0.633 . . . . 3.28 110.434 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 169.91 1.5 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.399 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.77 -178.16 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.018 -0.537 . . . . 1.22 110.735 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.8 t -140.52 159.01 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.613 -0.721 . . . . 1.14 110.002 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.3 mp -135.95 129.49 47.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.592 -0.731 . . . . 1.73 109.699 179.216 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HB3' HD21 ' A' ' 23' ' ' LEU . 52.0 m-85 -106.79 146.22 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.577 . . . . 1.49 110.968 -179.279 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 23' ' ' LEU . 55.0 tttt -119.57 139.82 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.525 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -105.51 -169.34 1.58 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.463 -0.79 . . . . 1.89 110.075 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -98.32 29.45 3.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.244 -0.434 . . . . 3.19 110.862 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -124.72 21.14 8.44 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.157 -0.474 . . . . 2.68 111.05 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 38.52 17.82 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.227 0.537 . . . . 2.57 110.647 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -135.8 142.06 44.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 3.49 110.482 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.669 ' O ' HD13 ' A' ' 49' ' ' ILE . 15.7 m-20 -117.46 146.62 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.491 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.4 mm -135.3 154.8 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.641 . . . . 2.11 110.123 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 49' ' ' ILE . 2.0 m -92.47 156.24 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.82 110.283 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -154.34 151.7 29.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.798 -0.637 . . . . 1.23 111.001 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.668 ' CB ' HD13 ' A' ' 13' ' ' LEU . 19.2 t70 -89.73 139.62 27.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.493 -0.776 . . . . 2.22 109.697 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.66 2.14 8.12 Favored 'Trans proline' 0 N--CA 1.476 0.494 0 C-N-CA 121.446 1.431 . . . . 1.21 113.775 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -110.09 24.32 13.17 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.665 -0.414 . . . . 3.39 110.758 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.57 169.29 9.16 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.009 0.433 . . . . 2.31 110.209 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -85.07 -36.79 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.592 . . . . 3.69 110.69 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.598 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -83.95 -29.81 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.321 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' A' ' 41' ' ' PHE . 58.9 t -71.04 -46.24 68.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.288 -0.634 . . . . 0.97 109.288 178.931 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.72 -47.41 86.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.743 -0.662 . . . . 2.67 109.715 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -32.84 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.402 -0.817 . . . . 1.87 109.158 178.463 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.8 m -65.75 -54.21 30.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.455 -0.793 . . . . 1.05 110.432 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 ptm -61.5 -36.55 80.82 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.509 -0.476 . . . . 1.92 110.406 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -69.88 -34.15 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.332 0.587 . . . . 2.73 109.784 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.67 ' CD2' HD22 ' A' ' 20' ' ' LEU . 41.6 t80 -62.22 -51.95 65.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.347 -0.842 . . . . 1.59 110.1 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 65' ' ' LEU . 47.7 mt -63.88 -43.28 96.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.67 110.356 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.26 -33.15 71.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.637 -0.71 . . . . 1.95 109.774 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 115.605 -0.725 . . . . 3.11 111.538 179.627 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 121.053 0.454 . . . . 2.06 110.293 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -121.0 -22.23 6.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.89 -0.595 . . . . 2.43 112.103 -179.074 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -117.11 16.3 14.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.088 -0.645 . . . . 3.12 112.694 -179.296 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 37.39 -160.04 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 O-C-N 123.455 0.472 . . . . 1.94 112.159 177.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.31 143.83 51.16 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.106 0.479 . . . . 1.66 110.465 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.81 -34.63 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 2.95 110.327 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 118.93 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 4.27 110.247 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -60.17 151.44 27.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 3.18 110.739 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.1 mt -110.94 140.02 22.31 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.927 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -79.19 159.71 26.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.475 1.45 . . . . 1.63 112.696 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.3 mt -80.48 -39.77 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.506 -0.77 . . . . 1.43 111.048 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.91 -30.32 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 2.31 110.893 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -92.25 -11.27 35.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 4.07 111.507 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.1 mt -74.74 138.19 42.55 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 1.58 110.924 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.2 -34.16 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 3.03 110.215 179.435 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.9 p -178.19 -172.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.851 -0.613 . . . . 2.07 110.051 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -154.45 155.68 35.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 1.74 110.508 179.779 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -140.26 111.35 7.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 3.6 110.735 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -82.7 149.21 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.818 -0.628 . . . . 2.51 110.066 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' ILE . 19.3 mt -111.16 120.6 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 1.7 110.386 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.1 m -165.85 32.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.279 -0.873 . . . . 2.31 110.247 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -81.33 -62.68 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 3.47 110.846 -179.57 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.04 -24.87 0.61 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.301 -0.72 . . . . 2.68 111.301 -179.671 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -69.29 -32.16 71.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.965 0.412 . . . . 5.35 110.382 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 29' ' ' ILE . 8.4 m -83.95 150.71 59.25 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.981 -0.554 . . . . 2.1 110.202 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.99 -25.39 3.47 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.805 1.67 . . . . 2.27 112.772 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -126.24 145.0 50.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.963 -0.562 . . . . 3.28 110.506 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -93.03 92.23 7.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 3.31 110.214 179.813 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.02 -177.26 3.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.885 -0.598 . . . . 1.22 110.635 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -119.74 156.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 1.14 110.192 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 29' ' ' ILE . 36.6 mt -132.85 129.92 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.227 -0.897 . . . . 1.73 109.386 179.177 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.668 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.1 m-85 -106.21 148.01 28.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.39 0.614 . . . . 1.49 111.141 -179.069 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -118.8 124.98 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.328 -0.851 . . . . 2.95 109.676 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 p -89.92 -174.04 4.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 1.89 110.13 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -97.38 29.94 3.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.209 -0.45 . . . . 3.19 110.739 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -124.67 20.96 8.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.111 -0.495 . . . . 2.68 110.926 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 37.55 15.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.005 0.431 . . . . 2.57 110.81 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -138.13 139.77 39.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.222 0.534 . . . . 3.49 110.527 179.733 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.01 151.05 23.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.655 -0.702 . . . . 2.28 110.445 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.6 mt -134.38 156.86 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.839 -0.619 . . . . 2.11 110.221 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.473 ' N ' HG22 ' A' ' 49' ' ' ILE . 64.0 m -96.2 154.3 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.563 -0.744 . . . . 1.82 110.564 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -159.07 156.77 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.259 0.552 . . . . 1.23 111.377 -179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.86 ' HB3' HD22 ' A' ' 13' ' ' LEU . 2.0 p30 -101.46 150.17 37.0 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.543 -0.753 . . . . 2.22 110.23 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -80.28 4.11 7.09 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.646 1.564 . . . . 1.21 113.405 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.51 17.83 20.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.741 -0.384 . . . . 3.39 111.486 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -100.35 155.49 17.77 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.477 -0.489 . . . . 2.31 110.347 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -73.02 -41.61 64.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 3.69 110.834 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CE2' HG23 ' A' ' 58' ' ' VAL . 61.5 p-90 -76.28 -29.07 57.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.33 110.657 -179.849 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.1 t -75.33 -41.39 43.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.158 -0.682 . . . . 0.97 109.158 178.789 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.61 -46.74 88.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.56 -0.746 . . . . 2.67 109.912 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.53 -35.79 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.745 . . . . 1.87 109.4 178.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.5 m -63.97 -50.85 66.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.35 -0.841 . . . . 1.05 109.918 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.426 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 2.2 ttp -62.21 -46.96 86.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.715 -0.675 . . . . 1.92 110.331 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -64.05 -34.73 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.624 . . . . 2.73 109.59 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.7 t80 -62.44 -53.51 53.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.339 -0.846 . . . . 1.59 109.851 179.593 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 26' ' ' TYR . 50.3 mt -66.42 -41.7 88.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.76 -0.654 . . . . 1.67 110.006 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.21 -32.24 72.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.293 -0.867 . . . . 1.95 110.201 179.419 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.889 -0.596 . . . . 3.11 110.488 179.9 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 121.142 0.496 . . . . 2.06 110.83 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -112.72 -36.28 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.734 -0.666 . . . . 2.43 110.403 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.15 94.8 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 3.12 110.309 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' CG ' ' A' ' 52' ' ' ASP . 31.0 mt -63.42 140.33 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 1.94 110.402 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.38 35.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 1.66 110.425 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.01 -31.85 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.765 -0.652 . . . . 2.95 110.406 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -70.26 121.03 16.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 4.27 110.628 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 1.6 mtpt -58.32 124.42 19.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 3.18 110.45 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.81 139.73 27.75 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.766 -0.652 . . . . 1.44 109.961 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.71 157.06 24.59 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.458 1.438 . . . . 1.63 112.924 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 64' ' ' TYR . 31.5 mt -80.88 -43.91 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 1.43 111.187 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.28 -28.94 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.795 -0.639 . . . . 2.31 111.239 -179.291 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -91.32 -12.35 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 4.07 111.517 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.2 mt -72.59 145.12 47.59 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.344 0.592 . . . . 1.58 111.015 -179.461 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -116.57 -40.81 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 3.03 110.094 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.03 175.53 2.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.717 -0.674 . . . . 2.07 109.809 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -143.75 156.16 44.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.353 -0.539 . . . . 1.74 110.917 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 tpm_? -130.91 116.24 17.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.564 -0.744 . . . . 3.6 110.021 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 15.7 ttp180 -88.34 143.94 26.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.398 0.618 . . . . 2.51 110.782 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.567 ' CG1' HD11 ' A' ' 40' ' ' ILE . 1.8 mt -105.89 -153.81 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.182 -0.917 . . . . 1.7 108.614 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.561 HG23 ' C ' ' A' ' 29' ' ' ILE . 1.5 p 78.14 35.44 0.26 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.274 0.559 . . . . 2.31 110.099 -179.54 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -109.97 -171.23 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 3.47 110.192 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.44 63.25 3.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.686 -0.965 . . . . 2.68 110.686 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -165.33 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 5.35 110.588 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' ILE . 2.1 m -66.2 152.27 94.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.682 -0.69 . . . . 2.1 110.432 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.17 -57.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.942 1.762 . . . . 2.27 112.716 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -81.88 -177.96 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.7 -0.682 . . . . 3.28 110.444 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.08 136.94 54.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.455 -179.918 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.58 -173.42 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.883 -0.599 . . . . 1.22 110.615 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.7 t -134.33 159.59 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.639 -0.71 . . . . 1.14 109.923 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.8 mp -127.12 136.49 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 1.73 109.849 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -116.87 149.8 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.297 0.57 . . . . 1.49 111.001 -179.298 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.786 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.4 ttpt -123.81 141.16 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.394 -0.821 . . . . 2.95 109.945 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -104.32 -166.15 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 1.89 110.103 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -97.5 29.42 3.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.851 0.358 . . . . 3.19 110.829 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.46 19.81 8.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.162 -0.472 . . . . 2.68 110.966 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 37.42 19.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.219 0.533 . . . . 2.57 110.609 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -130.49 147.39 52.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 3.49 110.468 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.93 149.23 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 2.28 110.414 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 49' ' ' ILE . 3.0 mp -134.0 162.39 39.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.78 -0.646 . . . . 2.11 110.017 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 49' ' ' ILE . 97.1 m -98.39 144.26 27.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.6 -0.727 . . . . 1.82 110.167 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -146.05 149.44 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.806 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.678 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.8 t0 -95.64 147.52 33.13 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.697 -0.683 . . . . 2.22 109.773 179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.87 6.4 5.55 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 121.615 1.544 . . . . 1.21 113.709 -179.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -110.19 19.4 18.95 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.703 -0.399 . . . . 3.39 111.135 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.6 160.92 13.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.06 0.457 . . . . 2.31 110.415 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.41 -32.61 37.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 3.69 110.784 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -85.51 -26.5 26.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.504 -0.478 . . . . 1.33 110.488 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.9 t -74.3 -43.98 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.197 -0.668 . . . . 0.97 109.197 178.771 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.88 -40.56 95.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 2.67 109.553 179.605 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -33.92 69.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.93 -0.767 . . . . 1.87 108.93 178.311 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -66.17 -54.74 21.69 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.285 -0.87 . . . . 1.05 110.488 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.25 -33.88 75.46 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.433 -0.507 . . . . 1.92 110.136 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.465 0.65 . . . . 2.73 109.387 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.1 t80 -60.92 -50.55 72.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.16 -0.927 . . . . 1.59 110.032 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.5 mt -65.74 -41.59 91.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.67 110.534 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -28.64 67.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.454 -0.793 . . . . 1.95 110.348 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 3.11 111.123 -179.631 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.147 0.498 . . . . 2.06 110.434 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.72 -32.96 11.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.774 -0.648 . . . . 2.43 110.417 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.17 80.67 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.761 -0.654 . . . . 3.12 110.374 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 52' ' ' ASP . 22.9 mt -65.52 140.36 58.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.715 -0.675 . . . . 1.94 110.408 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -68.68 136.39 52.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 1.66 110.434 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.38 -33.82 9.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.802 -0.635 . . . . 2.95 110.403 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -79.17 131.13 36.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.76 -0.655 . . . . 4.27 110.312 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.7 mtmt -63.83 125.55 24.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 3.18 110.535 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.628 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.3 mt -89.88 139.87 27.66 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.866 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.02 157.57 34.32 Favored 'Trans proline' 0 N--CA 1.475 0.439 0 C-N-CA 121.421 1.414 . . . . 1.63 112.988 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.61 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.46 -41.45 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 1.43 111.089 -179.374 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -57.87 -30.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 2.31 110.957 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -89.18 -14.39 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 4.07 111.274 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 20' ' ' LEU . 8.4 mt -74.01 145.92 44.19 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.267 0.556 . . . . 1.58 111.122 -179.535 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -117.05 -39.71 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.419 -0.81 . . . . 3.03 110.382 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.8 p -172.46 -170.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 2.07 110.484 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.706 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -153.97 147.5 25.09 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.948 -0.569 . . . . 1.74 110.743 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -130.9 98.88 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.466 -0.788 . . . . 3.6 110.39 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -63.93 148.64 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.849 -0.614 . . . . 2.51 110.481 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.604 HD11 ' CG1' ' A' ' 40' ' ' ILE . 43.4 mt -114.61 135.44 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.556 -0.747 . . . . 1.7 110.16 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -178.12 38.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.596 . . . . 2.31 110.365 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 t -61.28 -31.84 71.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 3.47 110.651 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.47 -28.46 7.84 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.988 -0.845 . . . . 2.68 110.988 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.75 -32.45 70.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.007 0.432 . . . . 5.35 110.581 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.45 154.06 95.22 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.901 -0.59 . . . . 2.1 110.394 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.97 -27.25 2.56 Favored 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 121.846 1.697 . . . . 2.27 112.66 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.46 130.69 26.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 3.28 110.621 -179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 154.54 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 3.31 110.308 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.49 -178.06 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.572 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 40' ' ' ILE . 48.9 t -135.92 158.11 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.704 -0.68 . . . . 1.14 110.33 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.604 ' CG1' HD11 ' A' ' 29' ' ' ILE . 46.4 mt -126.71 129.26 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.324 -0.853 . . . . 1.73 109.631 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 26' ' ' TYR . 14.7 m-30 -112.52 147.07 37.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.439 0.637 . . . . 1.49 111.019 -179.456 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -122.09 138.1 54.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.194 -0.912 . . . . 2.95 109.358 178.807 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -98.46 -165.37 1.24 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.39 -0.823 . . . . 1.89 109.891 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.85 29.12 3.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.393 . . . . 3.19 110.723 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mt -122.31 19.86 10.56 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.106 -0.497 . . . . 2.68 111.001 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 38.14 19.64 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.115 0.484 . . . . 2.57 110.681 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -135.7 147.51 48.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 3.49 110.444 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.26 154.04 28.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.619 -0.719 . . . . 2.28 110.29 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 55.5 mt -141.72 159.18 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 2.11 110.306 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 85.7 m -90.24 144.58 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 1.82 110.086 179.695 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.86 137.79 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.23 110.763 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.704 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -90.73 151.05 43.35 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.107 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.41 5.87 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 121.694 1.596 . . . . 1.21 113.422 -179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.17 18.99 19.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.582 -0.447 . . . . 3.39 111.259 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -100.59 152.96 19.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.034 0.445 . . . . 2.31 110.261 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -71.54 -42.87 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 3.69 110.56 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.628 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 64.3 p-90 -76.02 -26.4 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.909 -0.587 . . . . 1.33 110.558 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.6 t -79.5 -40.41 21.46 Favored 'Isoleucine or valine' 0 C--O 1.23 0.044 0 N-CA-C 109.378 -0.601 . . . . 0.97 109.378 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.94 -40.92 99.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.407 0.623 . . . . 2.67 109.665 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.72 -32.89 68.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 1.87 109.354 178.641 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 2.0 m -67.47 -49.86 61.67 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.529 -0.76 . . . . 1.05 110.53 179.628 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 ptm -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.1 -0.5 . . . . 1.92 110.111 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -71.6 -37.93 70.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.452 0.644 . . . . 2.73 109.404 179.301 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CD2' HD22 ' A' ' 20' ' ' LEU . 21.9 t80 -63.44 -48.12 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.125 -0.943 . . . . 1.59 109.547 179.382 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' CD1' ' A' ' 26' ' ' TYR . 98.2 mt -66.54 -44.1 83.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.612 -0.722 . . . . 1.67 110.116 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.98 -33.51 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 1.95 109.988 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.739 -0.664 . . . . 3.11 110.765 179.978 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 14.8 t . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.111 0.481 . . . . 2.06 110.12 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 10' ' ' CYS . 33.7 m-85 -137.91 36.29 2.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 2.43 110.242 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -154.2 62.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 3.12 109.826 179.69 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' ASP . 42.3 mt -58.51 144.36 42.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.472 -0.785 . . . . 1.94 110.904 -179.692 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.83 142.75 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.699 -0.682 . . . . 1.66 110.579 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -105.05 -35.99 7.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 2.95 110.272 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -82.48 124.35 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.732 -0.667 . . . . 4.27 110.281 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -58.83 130.86 48.98 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.857 -0.61 . . . . 3.18 110.876 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.81 139.92 27.78 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.825 179.884 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.66 159.11 31.91 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.343 1.362 . . . . 1.63 112.979 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.857 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.3 mt -80.39 -39.25 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.398 -0.819 . . . . 1.43 110.997 -179.515 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -59.05 -30.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 2.31 110.898 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -92.14 -11.38 35.78 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.888 -0.597 . . . . 4.07 111.404 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.0 mt -77.73 146.17 36.1 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.411 0.624 . . . . 1.58 111.222 -179.605 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.35 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.191 -0.913 . . . . 3.03 110.064 179.156 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -177.74 178.38 1.0 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.768 -0.651 . . . . 2.07 109.792 179.827 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 62' ' ' MET . 7.8 p90 -140.61 160.47 39.94 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.461 -0.496 . . . . 1.74 110.632 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -139.52 101.53 4.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 3.6 110.443 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.81 149.68 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.626 . . . . 2.51 110.195 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 40' ' ' ILE . 44.8 mt -112.02 155.49 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.748 -0.66 . . . . 1.7 110.373 -179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 29' ' ' ILE . 4.5 t -175.5 41.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.631 . . . . 2.31 110.213 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.56 164.94 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 3.47 110.691 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.6 -29.51 29.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.964 -0.854 . . . . 2.68 110.964 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -99.08 30.02 3.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.914 0.388 . . . . 5.35 110.584 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.86 148.36 35.72 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.251 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.74 -32.88 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.836 1.691 . . . . 2.27 112.649 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -149.95 146.23 26.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.781 -0.645 . . . . 3.28 110.472 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -76.72 166.65 23.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.746 -0.661 . . . . 3.31 110.236 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.71 -177.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 1.22 110.603 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.4 t -134.03 158.97 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.759 -0.655 . . . . 1.14 110.399 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 29' ' ' ILE . 43.8 mt -133.99 130.7 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.427 -0.806 . . . . 1.73 109.957 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.704 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.3 m-85 -109.02 154.14 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.27 0.557 . . . . 1.49 111.018 -179.432 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -132.47 128.43 37.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.492 -0.777 . . . . 2.95 109.866 179.29 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -89.73 -166.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 1.89 109.995 -179.72 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -97.52 29.19 3.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 3.19 110.72 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.55 20.82 10.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.238 -0.437 . . . . 2.68 110.967 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.68 36.75 19.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.14 0.495 . . . . 2.57 110.56 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 140.95 49.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.928 -0.578 . . . . 3.49 110.52 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -114.48 149.05 36.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.777 -0.647 . . . . 2.28 110.25 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -137.25 158.77 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.857 -0.61 . . . . 2.11 110.329 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' ILE . 1.6 m -90.56 154.48 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.734 -0.666 . . . . 1.82 110.268 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.81 146.0 21.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.23 110.527 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.691 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.7 t0 -89.85 144.12 31.14 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.815 -0.63 . . . . 2.22 109.83 179.698 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.19 -0.85 11.09 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.584 1.523 . . . . 1.21 113.544 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -110.3 24.5 12.91 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.654 -0.418 . . . . 3.39 110.98 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 176.04 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.064 0.459 . . . . 2.31 110.431 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -88.16 -53.08 4.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 3.69 110.851 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -69.48 -27.84 65.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 1.33 110.186 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.704 HG13 ' HE2' ' A' ' 41' ' ' PHE . 47.8 t -73.99 -38.81 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.122 -0.695 . . . . 0.97 109.122 178.781 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.16 -47.53 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.356 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.76 -35.25 79.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 1.87 109.315 178.771 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -64.89 -51.99 58.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.363 -0.835 . . . . 1.05 110.025 179.453 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 4.0 ttp -62.95 -43.91 97.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.094 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -65.1 -35.77 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 2.73 109.548 179.245 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.857 ' CD2' HD22 ' A' ' 20' ' ' LEU . 30.5 t80 -62.15 -54.68 37.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.832 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 65' ' ' LEU . 83.6 mt -67.07 -41.24 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.701 -0.681 . . . . 1.67 109.916 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.64 -29.55 70.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.291 -0.868 . . . . 1.95 110.132 179.097 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.038 -0.528 . . . . 3.11 111.709 -179.832 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.12 0.486 . . . . 2.06 110.568 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -109.85 -32.69 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.773 -0.648 . . . . 2.43 110.335 179.813 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -83.29 83.2 7.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 3.12 110.128 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 52' ' ' ASP . 31.5 mt -66.58 142.42 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.518 -179.748 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' CYS . . . -61.31 157.78 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 1.66 110.589 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.865 -0.607 . . . . 2.95 110.302 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -73.58 122.22 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 4.27 110.173 179.797 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -58.85 134.38 56.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 3.18 110.761 -179.685 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.7 mt -89.94 139.9 27.57 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.993 179.895 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -77.91 159.14 31.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.439 1.426 . . . . 1.63 112.823 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.84 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.4 mt -80.55 -42.39 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.437 -0.801 . . . . 1.43 111.126 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 2.31 111.071 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -92.12 -12.23 33.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.366 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.1 146.04 43.9 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.395 0.617 . . . . 1.58 111.135 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.47 -41.86 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.195 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 t 179.84 156.04 0.6 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.811 -0.631 . . . . 2.07 109.892 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.408 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 12.4 p90 -118.29 158.71 24.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.062 0.458 . . . . 1.74 110.711 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -132.99 107.44 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 3.6 110.314 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' HG3' HG22 ' A' ' 39' ' ' VAL . 59.0 ttp85 -87.49 151.22 23.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.866 -0.606 . . . . 2.51 110.549 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -113.61 152.11 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 1.7 110.235 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' THR . 7.3 m -161.95 31.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.786 -0.643 . . . . 2.31 110.472 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -68.15 150.75 47.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 3.47 110.52 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.16 -32.27 63.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.737 -0.945 . . . . 2.68 110.737 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -31.2 68.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 5.35 110.575 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.42 147.94 81.33 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 2.1 110.348 -179.832 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.16 -29.78 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.763 1.642 . . . . 2.27 112.445 179.799 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -153.78 132.94 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 3.28 110.384 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -65.36 143.43 57.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 3.31 110.608 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.95 -176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.79 -0.641 . . . . 1.22 110.254 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.1 t -133.41 157.84 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.406 0.622 . . . . 1.14 110.693 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 49' ' ' ILE . 54.0 mt -134.55 130.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.099 -0.955 . . . . 1.73 109.555 179.283 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.662 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -107.88 147.52 30.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.407 0.622 . . . . 1.49 111.053 -179.188 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -128.07 127.26 42.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.264 -0.88 . . . . 2.95 109.625 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -91.08 -167.31 1.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.744 -0.662 . . . . 1.89 110.018 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.55 28.54 3.72 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 3.19 110.701 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -120.86 21.35 11.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.161 -0.472 . . . . 2.68 110.88 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.64 36.01 19.75 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.126 0.489 . . . . 2.57 110.572 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -130.78 152.42 50.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.549 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -123.85 153.48 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.845 -0.616 . . . . 2.28 110.249 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 40' ' ' ILE . 52.9 mt -140.42 159.48 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.904 -0.589 . . . . 2.11 110.395 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.2 m -94.54 146.76 23.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 1.82 110.345 179.894 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.21 141.05 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 1.23 110.647 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.702 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -100.2 159.0 30.96 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.801 -0.636 . . . . 2.22 109.926 179.782 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -80.61 7.28 4.91 Favored 'Trans proline' 0 N--CA 1.477 0.511 0 C-N-CA 121.849 1.699 . . . . 1.21 113.757 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.11 10.43 39.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.652 -0.419 . . . . 3.39 111.487 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.47 158.05 16.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.098 0.475 . . . . 2.31 110.449 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -75.83 -48.17 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.732 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.7 p-90 -69.23 -28.17 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 1.33 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.702 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.4 t -75.46 -38.03 38.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.183 -0.673 . . . . 0.97 109.183 178.877 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.97 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 2.67 109.517 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.85 -35.6 80.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 1.87 109.322 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -65.59 -50.68 64.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.325 -0.852 . . . . 1.05 110.111 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.17 -41.75 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 1.92 110.229 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -67.41 -40.64 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.357 0.598 . . . . 2.73 109.793 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.84 ' CD2' HD22 ' A' ' 20' ' ' LEU . 59.1 t80 -64.98 -49.41 70.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.272 -0.876 . . . . 1.59 109.481 179.455 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 78.6 mt -66.55 -40.63 89.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.648 -0.706 . . . . 1.67 109.991 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.13 -34.51 73.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 1.95 110.197 179.471 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.685 . . . . 3.11 110.328 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.528 -1.429 . . . . 13.64 109.528 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.97 -51.61 0.04 OUTLIER 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 121.935 1.757 . . . . 12.69 112.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.88 176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.789 -0.641 . . . . 10.41 110.413 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.622 ' O ' HG23 ' A' ' 5' ' ' VAL . 48.1 t -134.97 -54.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 8.23 110.45 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 4' ' ' SER . 5.9 t -155.93 -66.55 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 115.792 -0.64 . . . . 6.25 109.926 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 5' ' ' VAL . 38.3 Cg_endo -73.31 112.23 3.48 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 121.153 1.235 . . . . 5.11 112.557 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.92 95.14 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.761 -0.654 . . . . 4.67 110.396 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.548 HG22 ' SG ' ' A' ' 34' ' ' CYS . 5.8 m -149.66 -64.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.629 . . . . 3.87 110.375 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' HG21 ' A' ' 29' ' ' ILE . 1.3 m -150.23 161.24 42.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.571 -0.74 . . . . 2.4 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.99 150.39 33.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 2.06 110.59 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -133.81 -47.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.759 -0.655 . . . . 2.43 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.38 93.67 9.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.689 . . . . 3.12 110.287 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 52' ' ' ASP . 42.2 mt -61.04 152.85 26.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 1.94 110.582 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -81.34 139.03 35.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.746 -0.661 . . . . 1.66 110.53 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -101.8 -36.5 8.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 2.95 110.28 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -79.07 119.01 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.741 -0.663 . . . . 4.27 110.305 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -59.04 130.73 48.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 3.18 110.791 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.84 139.52 27.67 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.741 -0.663 . . . . 1.44 109.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.53 160.94 25.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 121.501 1.467 . . . . 1.63 112.766 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.799 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.1 mt -80.45 -40.83 25.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 1.43 111.09 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 2.31 110.906 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -91.31 -12.98 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 4.07 111.332 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.76 143.57 51.17 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.299 0.571 . . . . 1.58 110.903 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.66 -41.31 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.354 -0.839 . . . . 3.03 110.112 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 p -169.43 -179.6 3.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.775 -0.648 . . . . 2.07 109.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.671 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.5 p90 -151.45 154.19 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 1.74 110.563 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.631 ' O ' HD12 ' A' ' 40' ' ' ILE . 12.9 ttm180 -139.44 128.47 23.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 3.6 110.686 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' A' ' 39' ' ' VAL . 2.1 ttp180 -107.87 148.07 30.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.186 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.598 HG21 ' SG ' ' A' ' 9' ' ' CYS . 53.1 mt -127.09 140.29 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.767 -0.651 . . . . 1.7 110.489 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -164.62 32.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.712 -0.677 . . . . 2.31 110.316 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -171.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.728 -0.669 . . . . 3.47 110.609 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.19 -9.48 53.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 115.842 -0.617 . . . . 2.68 111.879 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -98.66 29.91 3.51 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-O 121.018 0.437 . . . . 5.35 110.766 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 8' ' ' THR . 1.2 m -132.02 149.5 73.47 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.77 -28.13 1.8 Allowed 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.907 1.738 . . . . 2.27 112.484 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -136.91 170.76 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 3.28 110.412 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.58 136.02 50.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 3.31 110.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.05 -171.91 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.799 -0.637 . . . . 1.22 110.545 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 28' ' ' ARG . 58.3 t -119.81 159.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.176 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -130.84 130.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 1.73 109.546 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' A' ' 58' ' ' VAL . 48.7 m-85 -107.05 151.09 25.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.266 0.555 . . . . 1.49 110.923 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -128.1 126.96 42.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.46 -0.791 . . . . 2.95 109.672 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.1 p -89.91 -167.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 1.89 110.034 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -97.93 29.1 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 3.19 110.63 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -121.81 20.3 10.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.179 -0.464 . . . . 2.68 110.919 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.51 36.75 19.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.176 0.512 . . . . 2.57 110.632 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -132.67 145.13 50.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.91 -0.587 . . . . 3.49 110.56 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.663 ' O ' HD13 ' A' ' 49' ' ' ILE . 35.2 m-20 -116.06 147.03 41.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 2.28 110.354 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 48' ' ' ASP . 39.3 mm -134.81 152.51 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.896 -0.593 . . . . 2.11 110.387 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.09 152.98 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 1.82 110.219 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.11 137.74 10.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 1.23 110.507 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.703 ' O ' HG11 ' A' ' 58' ' ' VAL . 9.0 p-10 -93.52 153.1 41.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 2.22 109.951 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.52 12.7 2.79 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 121.9 1.733 . . . . 1.21 113.931 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -110.08 16.75 21.64 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.636 -0.426 . . . . 3.39 111.421 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -100.48 171.04 7.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.134 0.492 . . . . 2.31 110.491 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -88.42 -33.02 18.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.499 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.435 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.1 p-90 -86.35 -26.57 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 1.33 110.448 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 52' ' ' ASP . 64.6 t -75.48 -42.53 42.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 109.336 -0.616 . . . . 0.97 109.336 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.85 -47.75 82.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 2.67 109.737 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.33 -35.52 80.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.467 -0.788 . . . . 1.87 109.34 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -64.63 -52.01 59.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.363 -0.835 . . . . 1.05 109.931 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.9 ttm -61.62 -44.79 96.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 1.92 110.238 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -64.44 -35.1 79.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.82 -0.627 . . . . 2.73 109.707 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.799 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.0 t80 -62.8 -53.49 53.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.204 -0.907 . . . . 1.59 109.842 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 26' ' ' TYR . 56.7 mt -65.72 -41.82 91.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 1.67 110.045 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.31 -33.64 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.257 -0.883 . . . . 1.95 110.207 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.71 -48.53 11.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 3.11 110.569 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -65.03 -34.51 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.652 -0.704 . . . . 4.18 110.638 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -60.94 146.47 87.3 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.994 -0.548 . . . . 2.77 110.478 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.9 -57.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.475 0.41 0 C-N-CA 121.794 1.662 . . . . 4.16 112.614 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -174.62 148.01 1.18 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.578 -0.737 . . . . 5.4 110.326 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.74 174.72 10.08 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.795 1.664 . . . . 7.87 112.509 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 0.1 OUTLIER 177.32 -55.66 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.824 -0.626 . . . . 11.77 110.368 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.5 Cg_endo . . . . . 0 C--N 1.347 0.483 0 C-N-CA 121.46 1.44 . . . . 11.1 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.583 -1.407 . . . . 13.64 109.583 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.99 -57.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.861 1.707 . . . . 12.69 112.552 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.08 99.05 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.41 110.406 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.64 178.86 6.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 8.23 110.39 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.3 p -66.81 140.42 96.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.784 -0.644 . . . . 6.25 110.106 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.7 Cg_endo -82.67 106.35 1.48 Allowed 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 121.724 1.616 . . . . 5.11 112.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 7' ' ' THR . 5.2 t -61.55 109.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.885 -0.598 . . . . 4.67 110.489 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -130.88 12.88 5.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.854 -0.612 . . . . 3.87 111.449 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.8 m -96.77 -170.68 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.821 -0.437 . . . . 2.4 109.821 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -141.62 127.73 19.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.174 0.512 . . . . 2.06 110.652 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -108.68 -32.42 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 2.43 110.259 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.05 83.41 5.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.382 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 52' ' ' ASP . 23.5 mt -72.17 140.53 48.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -62.29 137.12 58.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.66 110.534 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.73 -36.39 8.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.794 -0.639 . . . . 2.95 110.352 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -80.78 122.75 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.725 -0.67 . . . . 4.27 110.302 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -60.99 138.04 58.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.829 -0.623 . . . . 3.18 110.65 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -97.58 139.78 21.59 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.799 -0.637 . . . . 1.44 110.01 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.5 159.3 25.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.582 1.521 . . . . 1.63 112.894 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.62 -38.2 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.43 110.937 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -59.3 -31.2 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 2.31 110.836 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -94.4 -10.84 31.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 4.07 111.254 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 20' ' ' LEU . 5.3 mt -70.58 142.63 51.71 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.275 0.56 . . . . 1.58 110.816 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.28 -41.36 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 3.03 109.953 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.32 -179.66 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.668 -0.697 . . . . 2.07 109.879 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.0 p90 -149.77 151.34 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 1.74 110.692 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 106.6 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 3.6 110.406 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 39' ' ' VAL . 61.3 ttp85 -84.46 146.67 27.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.821 -0.627 . . . . 2.51 110.384 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.06 134.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 1.7 110.379 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.5 m -164.1 31.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.427 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 t -74.36 -173.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.943 -0.571 . . . . 3.47 110.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.32 31.57 7.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -114.37 -38.62 4.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.084 0.468 . . . . 5.35 110.526 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.98 150.49 58.67 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.864 -0.607 . . . . 2.1 110.377 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.29 -26.44 2.77 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.814 1.676 . . . . 2.27 112.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -133.3 104.47 6.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.88 -0.6 . . . . 3.28 110.382 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -59.28 145.39 43.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.922 -0.581 . . . . 3.31 110.523 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.43 -178.67 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.228 0.537 . . . . 1.22 110.914 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 28' ' ' ARG . 93.1 t -127.65 156.99 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.428 -0.805 . . . . 1.14 109.998 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' N ' HG12 ' A' ' 39' ' ' VAL . 29.8 mm -124.02 142.43 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 1.73 109.398 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.669 ' CE2' HG13 ' A' ' 58' ' ' VAL . 30.6 m-85 -120.02 147.17 45.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.351 0.596 . . . . 1.49 110.888 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.9 mtmt -124.8 132.03 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.256 -0.884 . . . . 2.95 109.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -99.37 -163.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 1.89 109.889 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -96.31 27.89 3.53 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.457 -0.338 . . . . 3.19 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -121.68 18.91 11.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.346 -0.388 . . . . 2.68 111.066 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.5 32.24 21.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.453 . . . . 2.57 110.632 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -126.44 150.46 48.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 3.49 110.548 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.683 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -116.8 148.47 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.68 -0.691 . . . . 2.28 110.365 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.7 mm -135.78 142.88 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.21 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.8 m -77.43 149.5 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 1.82 110.326 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -155.84 138.14 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.676 . . . . 1.23 110.606 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.9 p-10 -93.0 154.18 41.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 2.22 110.211 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.05 5.85 5.7 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 121.819 1.679 . . . . 1.21 113.657 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -103.42 14.38 31.53 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.718 -0.393 . . . . 3.39 111.287 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mmtt -100.53 154.22 18.73 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.051 0.453 . . . . 2.31 110.291 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -74.48 -34.04 63.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.936 -0.574 . . . . 3.69 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -83.86 -26.48 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.478 -0.489 . . . . 1.33 110.378 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.669 HG13 ' CE2' ' A' ' 41' ' ' PHE . 60.0 t -78.41 -43.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.079 0 N-CA-C 109.699 -0.482 . . . . 0.97 109.699 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -63.49 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 2.67 109.737 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -36.55 64.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.652 -0.704 . . . . 1.87 109.273 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.327 -0.851 . . . . 1.05 109.901 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.96 -47.02 84.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.73 . . . . 1.92 110.225 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -65.66 -35.87 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 2.73 109.763 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 53.3 t80 -64.57 -48.21 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.311 -0.859 . . . . 1.59 109.862 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 77.2 mt -70.56 -42.29 71.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.341 0.591 . . . . 1.67 109.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.14 -22.67 67.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.583 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.43 -40.4 81.21 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.415 -0.357 . . . . 3.11 111.607 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -30.21 70.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.266 -0.574 . . . . 4.18 110.936 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -59.47 132.13 88.26 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 116.019 -0.537 . . . . 2.77 110.598 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.01 -166.05 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 121.779 1.653 . . . . 4.16 112.57 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 166.64 4.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.9 -0.591 . . . . 5.4 110.296 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.14 105.77 1.67 Allowed 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 121.755 1.637 . . . . 7.87 112.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -80.97 139.75 49.79 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.762 -0.654 . . . . 11.77 110.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--N 1.346 0.434 0 C-N-CA 121.658 1.572 . . . . 11.1 112.556 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.547 -1.421 . . . . 13.64 109.547 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.16 165.96 16.7 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.796 1.664 . . . . 12.69 112.542 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.57 -70.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.755 -0.657 . . . . 10.41 110.401 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.414 ' C ' HG12 ' A' ' 5' ' ' VAL . 1.1 t -74.27 -172.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 8.23 110.426 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 5' ' ' VAL . 13.7 p 41.3 53.86 7.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 115.618 -0.719 . . . . 6.25 112.384 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 5' ' ' VAL . 39.7 Cg_endo -77.27 -58.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.477 0.521 0 C-N-CA 121.517 1.478 . . . . 5.11 112.684 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -135.68 32.32 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 4.67 110.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -94.42 177.1 6.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 3.87 110.281 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.5 m -80.01 177.33 9.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 2.4 109.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 88.77 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 2.06 110.344 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.2 164.52 24.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 2.43 110.434 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 60.83 74.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.838 -0.619 . . . . 3.12 110.434 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 51' ' ' ALA . 28.1 mt -64.49 140.26 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.656 -0.702 . . . . 1.94 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 136.47 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.767 -0.651 . . . . 1.66 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -97.55 -33.87 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 2.95 110.227 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -77.46 170.18 17.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.196 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mtmt -100.1 126.99 46.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.506 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.92 139.94 27.61 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.728 -0.669 . . . . 1.44 109.996 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.92 158.84 31.06 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.467 1.445 . . . . 1.63 112.921 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' CD2' ' A' ' 64' ' ' TYR . 49.3 mt -80.45 -40.19 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.402 -0.817 . . . . 1.43 111.096 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.44 -30.75 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 2.31 110.915 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -90.36 -12.61 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 4.07 111.424 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -75.12 147.49 40.5 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.434 0.635 . . . . 1.58 111.077 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -117.87 -40.51 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.167 -0.924 . . . . 3.03 110.012 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.1 p -172.28 -171.2 0.8 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 2.07 109.942 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -153.32 153.97 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 1.74 110.639 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 101.42 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 3.6 110.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.73 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.7 ttt180 -71.87 157.47 37.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.619 . . . . 2.51 110.243 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 40' ' ' ILE . 48.8 mt -129.17 132.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 1.7 110.324 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -171.7 35.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.57 -0.741 . . . . 2.31 110.126 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 t -66.1 -50.67 63.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 3.47 110.553 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.4 -28.44 3.44 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.997 -0.841 . . . . 2.68 110.997 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.69 -32.5 71.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.072 0.463 . . . . 5.35 110.488 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.57 156.98 87.48 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.905 -0.589 . . . . 2.1 110.366 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.4 -27.02 2.97 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.778 1.652 . . . . 2.27 112.688 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 127.4 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 3.28 110.618 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.19 120.65 17.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.741 -0.663 . . . . 3.31 110.229 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.22 -178.91 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 1.22 110.702 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' HG3' ' A' ' 28' ' ' ARG . 45.3 t -121.23 158.59 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 1.14 110.186 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 29' ' ' ILE . 23.6 mt -127.04 131.29 71.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.454 -0.794 . . . . 1.73 109.598 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.689 ' CE2' HG13 ' A' ' 58' ' ' VAL . 27.7 m-85 -111.89 149.58 31.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.258 0.552 . . . . 1.49 111.064 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.1 ttpm? -125.56 138.78 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 2.95 109.631 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -103.85 -172.29 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 1.89 110.392 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -3.55 49.68 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.942 -0.572 . . . . 3.19 111.614 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -94.31 19.25 9.73 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.705 -0.398 . . . . 2.68 111.267 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.73 32.47 22.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.021 0.439 . . . . 2.57 110.866 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -121.57 147.23 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.983 -0.553 . . . . 3.49 110.496 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -112.91 155.12 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 2.28 110.468 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.2 mt -142.09 159.57 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.382 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.6 m -91.91 139.75 30.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.65 . . . . 1.82 110.317 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -144.15 144.37 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.706 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.677 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.2 t0 -89.97 144.97 32.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.795 -0.639 . . . . 2.22 109.865 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.23 0.97 9.58 Favored 'Trans proline' 0 N--CA 1.477 0.51 0 C-N-CA 121.505 1.47 . . . . 1.21 113.55 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 24.11 13.42 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.641 -0.424 . . . . 3.39 110.838 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 58' ' ' VAL . 2.0 ttmt -100.41 169.61 8.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.05 0.452 . . . . 2.31 110.46 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -83.31 -47.66 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.578 . . . . 3.69 110.767 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.461 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.2 p-90 -74.75 -27.45 60.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 1.33 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 ' CE2' ' A' ' 41' ' ' PHE . 47.8 t -75.31 -41.55 43.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 109.245 -0.65 . . . . 0.97 109.245 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.23 -47.01 86.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.636 -0.711 . . . . 2.67 109.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -32.83 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.453 -0.794 . . . . 1.87 109.19 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -65.71 -52.81 48.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.438 -0.801 . . . . 1.05 110.474 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 ptm -63.27 -39.76 95.5 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.403 -0.519 . . . . 1.92 110.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -68.79 -36.23 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.431 0.634 . . . . 2.73 109.552 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD2' HD22 ' A' ' 20' ' ' LEU . 28.3 t80 -63.0 -52.63 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.184 -0.917 . . . . 1.59 109.683 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 26' ' ' TYR . 40.9 mt -65.59 -42.86 91.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 1.67 110.113 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.54 -33.05 74.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 1.95 110.223 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.35 -48.24 23.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.802 -0.635 . . . . 3.11 110.546 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -33.54 76.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.592 -0.731 . . . . 4.18 110.479 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -84.87 150.34 55.57 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.858 -0.61 . . . . 2.77 110.481 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.48 57.35 6.09 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 121.884 1.723 . . . . 4.16 112.534 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.9 p 51.07 87.93 0.12 Allowed Pre-proline 0 N--CA 1.469 0.507 0 CA-C-N 115.767 -0.652 . . . . 5.4 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.73 164.83 18.18 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 121.813 1.675 . . . . 7.87 112.598 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.74 165.29 54.51 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.781 -0.645 . . . . 11.77 110.487 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.402 0 C-N-CA 121.885 1.723 . . . . 11.1 112.583 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.454 -1.458 . . . . 13.64 109.454 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 -174.11 2.01 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 121.824 1.683 . . . . 12.69 112.634 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.74 -178.9 6.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 10.41 110.388 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -110.81 -71.04 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.633 . . . . 8.23 110.459 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.468 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.7 t -86.6 -45.27 0.56 Allowed Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.842 -0.617 . . . . 6.25 111.607 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.1 Cg_endo -79.82 145.86 18.22 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 121.277 1.318 . . . . 5.11 112.595 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.28 -61.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 4.67 110.477 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -136.28 -64.71 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 3.87 110.408 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.84 134.93 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 2.4 110.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.92 124.2 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 2.06 110.418 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -114.64 -39.13 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 2.43 110.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -87.65 88.51 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 3.12 110.551 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD13 ' CG ' ' A' ' 52' ' ' ASP . 19.8 mt -62.39 139.86 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.859 -0.61 . . . . 1.94 110.359 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 138.48 49.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 1.66 110.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -99.6 -33.59 10.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.85 -0.614 . . . . 2.95 110.33 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -77.24 139.15 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.666 -0.697 . . . . 4.27 110.247 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 20.2 mttt -72.67 130.56 40.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 3.18 110.534 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 65.8 mt -89.82 139.93 27.77 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.891 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -76.87 157.78 34.89 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.311 1.341 . . . . 1.63 112.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 49.5 mt -80.52 -46.67 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 1.43 111.224 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.13 -28.95 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.634 . . . . 2.31 111.351 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.92 -12.7 38.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 4.07 111.544 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -75.9 145.32 40.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.264 0.554 . . . . 1.58 111.079 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -117.0 -40.59 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.383 -0.826 . . . . 3.03 110.211 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 p -179.35 158.78 0.88 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.831 -0.622 . . . . 2.07 109.952 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 19.2 p90 -120.04 161.54 20.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.152 0.501 . . . . 1.74 110.911 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -140.95 93.81 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 3.6 110.249 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.759 ' HG3' HG22 ' A' ' 39' ' ' VAL . 53.0 ttp180 -76.36 147.6 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.529 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 40' ' ' ILE . 44.4 mt -118.13 130.53 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.674 -0.694 . . . . 1.7 110.297 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 37' ' ' LYS . 6.1 m -164.91 32.43 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.435 -0.802 . . . . 2.31 110.225 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -71.91 -60.81 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.833 -0.621 . . . . 3.47 110.765 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.99 -22.37 0.99 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.322 -0.711 . . . . 2.68 111.322 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -69.23 -31.14 69.5 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.942 0.401 . . . . 5.35 110.484 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -82.41 151.37 65.51 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.494 . . . . 2.1 110.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.08 -25.95 3.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 121.85 1.7 . . . . 2.27 112.808 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -127.23 135.75 51.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 3.28 110.607 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 30' ' ' THR . 5.5 tttt -85.63 95.14 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.821 -0.627 . . . . 3.31 110.182 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 -177.75 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.52 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.759 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.4 t -125.2 158.1 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.788 -0.642 . . . . 1.14 110.405 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 29' ' ' ILE . 37.9 mt -128.88 130.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 1.73 109.718 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.2 m-85 -109.53 147.48 32.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 1.49 110.751 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -125.21 127.98 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 2.95 109.861 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -89.88 -176.62 4.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.659 -0.7 . . . . 1.89 110.373 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.96 -0.18 34.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.986 -0.552 . . . . 3.19 111.708 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.51 19.96 9.05 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.691 -0.404 . . . . 2.68 111.228 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.92 36.61 21.75 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 2.57 110.736 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -126.22 157.86 37.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 3.49 110.465 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.14 154.44 37.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.867 -0.606 . . . . 2.28 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.4 mt -142.85 159.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 2.11 110.352 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 63.5 m -93.9 140.58 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.82 110.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.8 154.41 43.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.23 110.91 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.65 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.91 149.29 36.69 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.549 -0.75 . . . . 2.22 109.798 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -80.72 4.85 6.58 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 121.599 1.532 . . . . 1.21 113.656 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -110.32 19.15 19.15 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.609 -0.436 . . . . 3.39 111.107 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 10.1 mptt -100.74 155.53 17.85 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.073 0.463 . . . . 2.31 110.372 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -76.01 -31.95 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 3.69 110.69 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.59 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.1 p-90 -84.46 -27.15 27.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 1.33 110.496 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 52' ' ' ASP . 98.8 t -74.59 -44.15 47.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.283 -0.636 . . . . 0.97 109.283 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.04 -47.68 85.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 2.67 109.714 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -33.37 75.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.371 -0.831 . . . . 1.87 109.327 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.69 -52.94 47.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.572 -0.74 . . . . 1.05 110.132 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.437 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 19.7 ttp -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.813 -0.63 . . . . 1.92 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -41.87 74.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 2.73 109.917 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 56.4 t80 -62.09 -39.94 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.334 -0.848 . . . . 1.59 109.884 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 65' ' ' LEU . 55.0 mt -74.43 -38.01 63.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.411 0.624 . . . . 1.67 109.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.74 -34.45 77.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.049 -0.978 . . . . 1.95 110.93 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.61 -5.33 54.81 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.418 0.525 . . . . 3.11 112.418 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -45.81 -29.84 1.47 Allowed 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.076 0.465 . . . . 4.18 111.645 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -58.24 109.9 2.17 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.753 -0.658 . . . . 2.77 110.439 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -83.55 -64.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.62 1.547 . . . . 4.16 113.043 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 92.3 49.17 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 5.4 110.566 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.24 163.58 19.75 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 121.748 1.632 . . . . 7.87 112.523 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -100.63 159.26 30.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.778 -0.646 . . . . 11.77 110.475 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--O 1.22 -0.422 0 C-N-CA 121.831 1.687 . . . . 11.1 112.637 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.563 -1.415 . . . . 13.64 109.563 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.11 -28.46 1.98 Allowed 'Trans proline' 0 N--CA 1.475 0.419 0 C-N-CA 121.886 1.724 . . . . 12.69 112.58 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.57 141.36 58.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 10.41 110.444 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -140.03 -173.4 3.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.841 -0.618 . . . . 8.23 110.458 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.41 139.72 97.43 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.826 -0.625 . . . . 6.25 110.253 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -82.56 -64.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.668 1.579 . . . . 5.11 112.744 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -163.51 155.88 17.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 4.67 110.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.27 153.51 36.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 3.87 110.448 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 32.3 m -79.81 -170.39 2.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 2.4 109.968 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.71 -71.39 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 2.06 110.461 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 35.0 m-85 60.81 30.86 19.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.835 -0.62 . . . . 2.43 110.697 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -174.89 83.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 3.12 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 52' ' ' ASP . 29.9 mt -67.92 146.14 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 1.94 110.423 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.5 140.04 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 1.66 110.463 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.92 -37.03 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 2.95 110.223 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -75.12 115.75 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 4.27 110.153 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -59.08 132.7 54.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 3.18 110.846 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.7 mt -89.87 139.86 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.749 -0.659 . . . . 1.44 109.999 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -78.18 158.67 30.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.472 1.448 . . . . 1.63 112.961 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.1 mt -80.63 -42.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.311 -0.859 . . . . 1.43 111.128 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -58.68 -29.36 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.097 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -93.9 -10.2 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 4.07 111.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -72.87 145.84 46.61 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.339 0.59 . . . . 1.58 111.031 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -116.85 -42.0 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.359 -0.837 . . . . 3.03 109.997 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p 179.76 159.02 0.73 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.715 -0.675 . . . . 2.07 110.057 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 5.7 p90 -122.01 160.95 23.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.065 0.46 . . . . 1.74 110.64 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 40' ' ' ILE . 5.2 tpm_? -138.58 112.46 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.929 -0.578 . . . . 3.6 110.563 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -93.8 146.82 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.737 -0.665 . . . . 2.51 110.29 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.74 136.31 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.618 -0.719 . . . . 1.7 110.218 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 ' HD2' ' A' ' 37' ' ' LYS . 1.9 m -157.98 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.31 110.605 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -80.15 -172.58 3.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 3.47 110.376 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.88 43.92 1.98 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.656 -0.978 . . . . 2.68 110.656 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -121.03 -65.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.147 0.499 . . . . 5.35 110.509 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.0 150.13 94.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.691 -0.686 . . . . 2.1 110.419 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -82.87 -30.06 1.1 Allowed 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 121.872 1.714 . . . . 2.27 112.664 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -120.9 101.39 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 3.28 110.423 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG23 ' A' ' 30' ' ' THR . 2.0 pttp -61.6 108.02 0.9 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 3.31 110.376 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.55 -178.44 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 1.22 110.606 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -121.41 158.55 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 1.14 110.206 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.0 mp -134.77 130.29 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.342 -0.845 . . . . 1.73 109.708 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.706 ' HE2' HG13 ' A' ' 58' ' ' VAL . 55.5 m-85 -109.04 148.66 30.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.316 0.579 . . . . 1.49 111.187 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.728 ' O ' HD23 ' A' ' 23' ' ' LEU . 9.7 ttpt -121.15 140.75 51.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.297 -0.865 . . . . 2.95 109.657 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -107.81 -167.5 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.466 -0.788 . . . . 1.89 110.1 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.02 26.39 4.71 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.38 -0.373 . . . . 3.19 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.28 19.99 12.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.333 -0.394 . . . . 2.68 110.92 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 34.14 20.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.113 0.482 . . . . 2.57 110.654 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -128.41 150.19 50.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 3.49 110.534 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.668 ' C ' HD12 ' A' ' 49' ' ' ILE . 1.1 m-20 -122.47 145.37 48.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.174 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -136.73 158.56 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 2.11 109.993 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.491 ' N ' HG22 ' A' ' 49' ' ' ILE . 30.3 m -95.02 149.91 20.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.253 -0.885 . . . . 1.82 110.388 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -144.87 156.98 44.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.669 -0.696 . . . . 1.23 110.808 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.67 148.09 35.01 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.643 -0.708 . . . . 2.22 109.879 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.02 3.56 7.5 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 121.627 1.551 . . . . 1.21 113.626 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -110.25 19.09 19.25 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.657 -0.417 . . . . 3.39 111.095 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -100.7 161.88 13.3 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 2.31 110.485 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -81.0 -43.02 20.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.62 . . . . 3.69 110.65 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.7 p-90 -73.64 -28.96 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 1.33 110.245 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' HE2' ' A' ' 41' ' ' PHE . 87.0 t -73.68 -41.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.229 -0.656 . . . . 0.97 109.229 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.02 -46.4 89.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.67 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 1.87 109.229 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.5 -54.52 31.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.321 -0.854 . . . . 1.05 110.299 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.3 ptm -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.03 -0.532 . . . . 1.92 110.268 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -66.7 -37.23 84.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.356 0.598 . . . . 2.73 109.843 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.1 t80 -63.6 -51.71 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.854 . . . . 1.59 109.782 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.4 mt -68.68 -40.21 80.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 1.67 109.857 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.33 -29.63 70.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.269 -0.878 . . . . 1.95 110.384 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.97 -31.37 71.71 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.058 0.456 . . . . 3.11 110.385 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -84.72 -66.57 0.88 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.944 -0.571 . . . . 4.18 110.618 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.15 150.58 43.56 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.777 -0.647 . . . . 2.77 110.502 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.5 122.33 4.02 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.864 1.709 . . . . 4.16 112.743 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 71' ' ' THR . 2.9 t -178.86 74.27 0.21 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.724 -0.671 . . . . 5.4 110.217 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.65 -167.91 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 121.951 1.767 . . . . 7.87 112.738 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 174.82 -53.02 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.732 -0.667 . . . . 11.77 110.502 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--N 1.347 0.46 0 C-N-CA 121.607 1.538 . . . . 11.1 112.548 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.586 -1.406 . . . . 13.64 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.23 -170.3 0.92 Allowed 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 121.956 1.771 . . . . 12.69 112.571 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.28 -63.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.829 -0.623 . . . . 10.41 110.419 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.95 125.91 47.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.771 -0.649 . . . . 8.23 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 5' ' ' VAL . 12.4 m -113.55 85.82 9.54 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.869 -0.605 . . . . 6.25 110.547 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.15 93.55 1.0 Allowed 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 121.776 1.651 . . . . 5.11 112.408 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.741 HG21 ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -139.49 122.56 16.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.821 -0.627 . . . . 4.67 110.527 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -163.07 136.45 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.649 -0.705 . . . . 3.87 110.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -103.61 157.02 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.973 -0.558 . . . . 2.4 110.526 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 t -94.99 152.63 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.643 -0.708 . . . . 2.06 110.474 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -123.32 -40.2 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.743 -0.662 . . . . 2.43 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -70.87 70.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.389 0.614 . . . . 3.12 110.21 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.683 HD22 ' C ' ' A' ' 51' ' ' ALA . 20.6 mt -65.75 163.17 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.94 110.601 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.91 139.86 30.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.76 -0.654 . . . . 1.66 110.524 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.33 -35.44 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 2.95 110.129 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -74.44 167.41 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 4.27 110.125 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -99.94 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.231 0.539 . . . . 3.18 110.553 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.3 mt -89.87 139.7 27.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.889 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -77.81 158.52 31.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.32 1.347 . . . . 1.63 112.813 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.6 mt -80.53 -40.06 26.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 1.43 110.888 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.66 -30.23 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.864 -0.607 . . . . 2.31 110.873 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ttp85 -92.49 -10.6 37.21 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.018 -0.537 . . . . 4.07 111.462 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.7 143.7 39.85 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.352 0.596 . . . . 1.58 111.001 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.45 -34.84 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.384 -0.826 . . . . 3.03 110.273 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 -173.2 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.876 -0.602 . . . . 2.07 109.766 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -151.85 153.38 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.109 0.48 . . . . 1.74 110.603 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 95.47 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 3.6 110.514 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 39' ' ' VAL . 21.1 ttp180 -73.77 147.66 43.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 2.51 110.193 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 40' ' ' ILE . 53.7 mt -130.64 136.34 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.704 -0.68 . . . . 1.7 110.354 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -171.92 35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.675 -0.693 . . . . 2.31 110.37 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -69.63 -172.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 3.47 110.503 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.3 -30.26 14.55 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.794 -0.922 . . . . 2.68 110.794 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.741 ' HB2' HG21 ' A' ' 7' ' ' THR . 5.0 mmmm -69.9 -36.0 75.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.058 0.456 . . . . 5.35 110.509 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 138.99 92.44 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.935 -0.575 . . . . 2.1 110.629 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -83.23 -33.7 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.638 1.559 . . . . 2.27 112.138 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -120.84 -172.7 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.42 -0.809 . . . . 3.28 110.097 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -129.67 137.67 50.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 3.31 110.359 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 -178.25 4.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.963 -0.562 . . . . 1.22 110.786 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 28' ' ' ARG . 61.9 t -135.37 159.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.627 -0.715 . . . . 1.14 110.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 49' ' ' ILE . 34.6 mt -130.09 130.11 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.73 109.951 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.5 m-85 -109.56 150.85 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.277 0.561 . . . . 1.49 110.982 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -129.49 128.05 42.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 2.95 109.788 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -89.78 -166.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.465 -0.789 . . . . 1.89 110.113 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -97.34 28.66 3.57 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.212 -0.449 . . . . 3.19 110.684 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 20.89 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.194 -0.457 . . . . 2.68 110.906 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 36.34 19.84 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.049 0.452 . . . . 2.57 110.675 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -131.83 152.21 51.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 3.49 110.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -119.36 154.51 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.817 -0.629 . . . . 2.28 110.335 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.5 mt -141.77 159.53 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 2.11 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 79.7 m -98.71 141.58 31.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.82 110.207 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.683 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -139.79 150.15 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.832 -0.622 . . . . 1.23 110.817 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 5.0 t0 -90.06 143.22 29.53 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.606 -0.724 . . . . 2.22 109.731 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.63 -0.19 10.51 Favored 'Trans proline' 0 N--CA 1.475 0.428 0 C-N-CA 121.494 1.462 . . . . 1.21 113.458 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -110.28 24.28 13.19 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.705 -0.398 . . . . 3.39 110.811 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 175.13 5.81 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.998 0.428 . . . . 2.31 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -89.1 -50.44 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.931 -0.577 . . . . 3.69 110.711 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.4 p-90 -71.04 -29.0 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 1.33 110.14 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG11 ' O ' ' A' ' 52' ' ' ASP . 53.9 t -72.1 -40.13 66.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.167 -0.679 . . . . 0.97 109.167 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.36 -41.51 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 2.67 109.408 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -33.66 71.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.492 -0.776 . . . . 1.87 109.082 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -68.26 -54.04 20.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.424 -0.807 . . . . 1.05 110.338 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -63.91 -34.88 78.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.085 -0.507 . . . . 1.92 110.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -72.61 -36.79 68.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.503 0.668 . . . . 2.73 109.317 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.846 ' CD2' HD22 ' A' ' 20' ' ' LEU . 27.9 t80 -62.68 -52.32 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.042 -0.981 . . . . 1.59 109.717 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 26' ' ' TYR . 74.6 mt -64.59 -41.26 96.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.714 -0.675 . . . . 1.67 110.135 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -34.54 76.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.306 -0.861 . . . . 1.95 110.226 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.29 -2.24 58.48 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.859 -0.609 . . . . 3.11 111.653 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -90.92 20.77 4.58 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.906 -0.318 . . . . 4.18 111.731 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.7 151.2 84.65 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 120.719 -0.393 . . . . 2.77 110.371 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.88 121.81 3.73 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 121.806 1.67 . . . . 4.16 112.635 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 p -147.43 162.34 32.57 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.794 -0.639 . . . . 5.4 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.84 156.95 18.26 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 121.862 1.708 . . . . 7.87 112.569 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.83 134.11 95.79 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.823 -0.626 . . . . 11.77 110.305 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo . . . . . 0 C--N 1.347 0.492 0 C-N-CA 121.654 1.569 . . . . 11.1 112.624 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.551 -1.42 . . . . 13.64 109.551 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.33 112.06 2.18 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.891 1.727 . . . . 12.69 112.54 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.64 -179.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.626 . . . . 10.41 110.534 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 t 60.4 84.97 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.846 -0.616 . . . . 8.23 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 t -80.28 139.7 52.38 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.859 -0.609 . . . . 6.25 110.163 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -82.54 -69.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.677 1.585 . . . . 5.11 112.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 7' ' ' THR . 4.8 t -164.46 121.09 1.58 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.064 0.459 . . . . 4.67 110.539 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 m -163.75 117.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 3.87 110.568 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.2 m -107.7 -52.88 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 2.4 110.286 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 178.71 78.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.588 -0.733 . . . . 2.06 110.078 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.71 163.73 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.83 -0.623 . . . . 2.43 109.923 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.43 65.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.657 0.742 . . . . 3.12 109.158 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 52' ' ' ASP . 13.3 mt -52.98 143.23 17.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.07 -0.968 . . . . 1.94 111.228 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -58.87 138.55 57.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.391 -0.822 . . . . 1.66 110.896 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -105.46 -33.94 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.672 -0.695 . . . . 2.95 110.09 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -79.89 127.43 32.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.703 -0.68 . . . . 4.27 110.133 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 15.1 mttm -61.49 130.48 46.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.593 . . . . 3.18 110.659 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.6 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 67.7 mt -89.9 140.08 27.66 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.574 -0.739 . . . . 1.44 109.831 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -76.74 155.88 35.17 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.423 1.416 . . . . 1.63 113.174 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.1 mt -80.83 -47.47 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.091 -0.959 . . . . 1.43 111.269 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -55.81 -29.01 59.06 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.772 -0.649 . . . . 2.31 111.353 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -89.85 -13.69 35.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 4.07 111.464 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.6 mt -71.14 145.65 49.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.362 0.601 . . . . 1.58 111.095 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -117.32 -41.67 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.242 -0.89 . . . . 3.03 110.055 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 t 179.78 154.33 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.707 -0.678 . . . . 2.07 109.96 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -118.43 158.9 24.43 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.137 0.494 . . . . 1.74 110.672 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -135.32 110.35 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.641 . . . . 3.6 110.312 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -79.17 142.02 36.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 2.51 110.523 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 40' ' ' ILE . 46.4 mt -115.88 133.24 62.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.439 -0.801 . . . . 1.7 110.19 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -170.0 34.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.638 -0.71 . . . . 2.31 110.316 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -169.64 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.724 -0.671 . . . . 3.47 110.461 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.42 -15.42 40.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.917 -0.583 . . . . 2.68 111.708 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -96.78 26.85 4.26 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.733 -0.387 . . . . 5.35 111.158 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.23 130.41 23.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.691 -0.404 . . . . 2.1 109.939 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -84.84 -26.42 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 121.607 1.538 . . . . 2.27 112.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -125.48 98.98 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.792 -0.64 . . . . 3.28 110.546 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -66.25 154.02 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.903 -0.589 . . . . 3.31 110.367 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.15 -173.8 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 1.22 110.517 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 61.2 t -119.43 159.44 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.904 -0.589 . . . . 1.14 110.029 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -127.32 142.37 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 1.73 109.642 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.5 m-85 -122.83 147.41 46.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.424 0.631 . . . . 1.49 111.098 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.734 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.5 tttt -124.3 140.69 52.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 2.95 109.699 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.3 p -108.04 -164.23 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.474 -0.785 . . . . 1.89 109.904 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -97.05 29.09 3.24 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.901 0.381 . . . . 3.19 110.789 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.79 18.84 9.43 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.24 -0.436 . . . . 2.68 111.045 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.01 19.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.207 0.527 . . . . 2.57 110.745 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -134.24 154.65 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 3.49 110.613 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.682 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.4 m-20 -123.57 149.57 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.663 -0.699 . . . . 2.28 110.494 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 48' ' ' ASP . 37.8 mm -136.71 151.6 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 2.11 110.181 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -88.6 143.27 27.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.911 -0.586 . . . . 1.82 110.248 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.32 160.2 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.75 -0.659 . . . . 1.23 110.564 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.687 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -115.86 155.03 48.23 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 2.22 109.904 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.29 4.21 6.79 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 121.71 1.607 . . . . 1.21 113.576 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 10.79 40.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.66 -0.416 . . . . 3.39 111.274 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.52 154.8 18.25 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.041 0.448 . . . . 2.31 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 3.69 110.603 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.6 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -78.61 -27.22 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 1.33 110.482 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.687 HG11 ' O ' ' A' ' 52' ' ' ASP . 94.4 t -74.43 -42.23 49.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.039 -0.726 . . . . 0.97 109.039 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.21 -48.14 81.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.735 . . . . 2.67 109.644 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -34.16 77.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.367 -0.833 . . . . 1.87 109.409 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -65.25 -52.75 52.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.393 -0.821 . . . . 1.05 110.132 179.482 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.86 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.809 -0.632 . . . . 1.92 110.257 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.8 -38.78 89.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 2.73 109.764 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.4 t80 -64.4 -51.48 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.281 -0.872 . . . . 1.59 109.581 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.9 mt -65.7 -40.73 92.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 1.67 110.012 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.15 -38.15 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.299 -0.864 . . . . 1.95 110.232 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -28.67 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.761 -0.654 . . . . 3.11 110.522 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.28 -31.29 68.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.139 -0.482 . . . . 4.18 110.699 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -81.09 114.01 45.47 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.91 -0.586 . . . . 2.77 110.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.42 -167.02 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 121.596 1.531 . . . . 4.16 112.619 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.5 p -119.5 152.76 53.44 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.817 -0.628 . . . . 5.4 110.365 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.88 76.22 4.41 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 C-N-CA 121.86 1.706 . . . . 7.87 112.569 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -170.65 85.37 0.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.619 . . . . 11.77 110.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.22 -0.391 0 C-N-CA 121.869 1.713 . . . . 11.1 112.592 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.399 0 N-CA-C 109.501 -1.44 . . . . 13.64 109.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.06 139.64 10.83 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 121.811 1.674 . . . . 12.69 112.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.88 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 10.41 110.429 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.0 t -136.95 -67.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.801 -0.636 . . . . 8.23 110.374 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.1 p -105.88 140.22 21.0 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.879 -0.601 . . . . 6.25 109.992 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.2 Cg_endo -82.49 -42.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 121.621 1.547 . . . . 5.11 112.599 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 m -99.33 141.04 32.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 4.67 110.494 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -132.38 -64.87 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 3.87 110.352 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.2 m -129.0 -170.48 2.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.678 . . . . 2.4 109.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.98 118.62 23.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 2.06 110.32 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -119.21 153.06 35.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 2.43 110.117 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.33 82.66 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.12 110.21 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 52' ' ' ASP . 24.7 mt -61.06 140.26 57.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.94 110.559 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 145.08 56.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.679 -0.691 . . . . 1.66 110.439 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -100.19 -58.6 1.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 2.95 110.181 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -63.15 127.02 29.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.658 -0.701 . . . . 4.27 110.106 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.07 140.05 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 3.18 110.863 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 69.3 mt -89.81 139.7 27.75 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.547 -0.751 . . . . 1.44 109.702 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.0 Cg_endo -74.65 156.48 44.56 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.294 1.329 . . . . 1.63 112.957 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.4 mt -80.46 -43.38 20.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.144 -0.935 . . . . 1.43 111.242 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -58.78 -29.5 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 2.31 111.013 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -89.77 -14.1 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 4.07 111.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 65' ' ' LEU . 5.1 mt -72.65 146.44 46.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.495 0.664 . . . . 1.58 111.281 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -120.71 -41.79 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.132 -0.94 . . . . 3.03 110.199 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.63 156.32 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.589 . . . . 2.07 109.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 18.5 p90 -119.97 171.04 8.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.171 0.51 . . . . 1.74 110.86 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -149.13 112.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.679 . . . . 3.6 110.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.707 ' HG3' HG22 ' A' ' 39' ' ' VAL . 32.7 ttp180 -87.16 149.73 24.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.886 -0.597 . . . . 2.51 110.534 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 40' ' ' ILE . 55.7 mt -118.87 138.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.604 -0.726 . . . . 1.7 110.302 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.2 28.27 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.76 -0.655 . . . . 2.31 110.422 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -76.33 174.38 10.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.236 0.541 . . . . 3.47 110.675 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.88 -22.46 20.6 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.227 -0.749 . . . . 2.68 111.227 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -69.46 -30.19 68.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.847 0.356 . . . . 5.35 110.683 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.6 m -77.74 153.11 80.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.205 -0.452 . . . . 2.1 110.268 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.88 -23.24 3.89 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 121.931 1.754 . . . . 2.27 113.152 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.35 162.56 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.322 0.582 . . . . 3.28 111.053 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -101.13 116.84 33.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.338 -0.847 . . . . 3.31 110.035 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.11 -178.39 5.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.15 0.5 . . . . 1.22 110.951 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.707 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.2 t -125.13 158.85 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.561 -0.745 . . . . 1.14 110.261 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 29' ' ' ILE . 1.3 mp -127.19 130.89 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.497 -0.774 . . . . 1.73 109.417 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.4 m-85 -109.29 147.99 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.405 0.621 . . . . 1.49 110.739 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -126.98 130.58 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.859 . . . . 2.95 109.85 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.3 p -90.66 -166.41 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.67 . . . . 1.89 109.825 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -97.58 29.26 3.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 3.19 110.779 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -124.57 21.75 8.45 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.206 -0.452 . . . . 2.68 110.902 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.21 35.18 18.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.128 0.49 . . . . 2.57 110.556 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -125.66 151.13 46.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.03 152.52 38.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.889 -0.596 . . . . 2.28 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 50' ' ' CYS . 56.0 mt -142.49 159.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.649 -0.705 . . . . 2.11 110.067 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 49' ' ' ILE . 24.7 m -95.18 149.86 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 1.82 110.423 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' HD2' ' A' ' 41' ' ' PHE . . . -150.74 155.68 39.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.727 -0.67 . . . . 1.23 110.713 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.66 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -106.2 146.96 34.0 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.706 -0.679 . . . . 2.22 109.786 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -80.36 6.17 5.56 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 121.668 1.579 . . . . 1.21 113.586 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -109.59 17.21 21.58 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.69 -0.404 . . . . 3.39 111.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -100.58 163.03 12.53 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.061 0.458 . . . . 2.31 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -80.57 -39.57 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.858 -0.61 . . . . 3.69 110.589 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.466 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.1 p-90 -77.62 -27.65 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 1.33 110.559 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 52' ' ' ASP . 99.7 t -75.89 -41.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.127 -0.694 . . . . 0.97 109.127 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -61.87 -47.54 84.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.696 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.4 80.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 1.87 109.322 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -63.83 -50.79 67.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.348 -0.842 . . . . 1.05 110.176 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.03 -44.16 97.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.802 -0.635 . . . . 1.92 110.453 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.359 0.6 . . . . 2.73 109.74 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD2' HD22 ' A' ' 20' ' ' LEU . 81.4 t80 -63.4 -49.72 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.24 -0.891 . . . . 1.59 109.652 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 23' ' ' LEU . 82.4 mt -67.87 -42.7 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.654 . . . . 1.67 109.966 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.77 -26.94 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.257 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -74.0 -9.95 59.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.009 -0.541 . . . . 3.11 112.06 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -90.36 21.22 3.97 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.142 -0.623 . . . . 4.18 111.866 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -57.54 148.29 56.31 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.906 -0.318 . . . . 2.77 110.648 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.49 122.91 3.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 121.813 1.675 . . . . 4.16 112.708 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -86.69 -51.84 0.44 Allowed Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.85 -0.614 . . . . 5.4 110.615 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.9 Cg_endo -82.65 127.88 5.11 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.691 1.594 . . . . 7.87 112.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt 60.11 84.42 0.2 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.815 -0.63 . . . . 11.77 110.574 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.865 1.71 . . . . 11.1 112.538 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.508 -1.437 . . . . 13.64 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.23 -48.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.475 0.391 0 C-N-CA 121.817 1.678 . . . . 12.69 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.19 32.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.41 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.15 51.78 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.437 0.637 . . . . 8.23 110.408 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG13 ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -89.47 -48.08 0.4 Allowed Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 115.709 -0.678 . . . . 6.25 110.415 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' HG13 ' A' ' 5' ' ' VAL . 40.4 Cg_endo -83.06 169.25 13.09 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 121.445 1.43 . . . . 5.11 112.548 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -135.43 -62.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 4.67 110.466 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 145.1 25.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 3.87 110.402 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.1 m -91.52 -177.97 4.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 2.4 110.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.84 111.68 13.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.559 . . . . 2.06 110.205 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -105.14 156.42 18.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.24 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 61.21 81.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 3.12 110.421 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.603 HD13 ' CG ' ' A' ' 52' ' ' ASP . 13.8 mt -63.4 140.11 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 1.94 110.285 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 137.76 57.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.64 . . . . 1.66 110.529 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -34.7 10.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.912 -0.586 . . . . 2.95 109.973 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.58 147.51 41.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 4.27 110.209 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -83.75 126.73 33.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 3.18 110.562 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.6 mt -89.66 139.93 28.01 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.56 -0.746 . . . . 1.44 109.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -75.92 156.45 38.94 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.325 1.35 . . . . 1.63 112.939 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 23' ' ' LEU . 73.1 mt -80.7 -38.32 29.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.187 -0.915 . . . . 1.43 111.171 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -58.95 -30.65 68.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 2.31 111.1 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -90.02 -12.4 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 4.07 111.52 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 20' ' ' LEU . 7.7 mt -74.49 147.22 42.1 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.479 0.657 . . . . 1.58 111.244 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -118.69 -40.39 2.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.205 -0.907 . . . . 3.03 110.303 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -175.72 160.91 2.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.829 -0.623 . . . . 2.07 109.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.4 p90 -127.31 163.21 24.46 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.478 -0.489 . . . . 1.74 110.839 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.714 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -140.18 107.57 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 3.6 110.385 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' CG ' HG22 ' A' ' 39' ' ' VAL . 4.9 ttm180 -91.9 142.53 27.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.608 . . . . 2.51 110.415 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' THR . 54.7 mt -123.06 144.78 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 1.7 110.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -162.44 31.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 2.31 110.477 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -78.43 -172.29 2.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.549 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.94 37.75 3.66 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -118.82 -42.89 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 5.35 110.407 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -73.11 159.23 85.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 115.745 -0.661 . . . . 2.1 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.37 -26.59 3.22 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.797 1.665 . . . . 2.27 112.572 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.43 138.82 25.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.463 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.7 154.82 41.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.823 -0.626 . . . . 3.31 110.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.02 -177.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.579 . . . . 1.22 110.546 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 40' ' ' ILE . 38.9 t -133.05 159.59 43.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 1.14 110.206 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.5 mp -128.46 130.47 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.775 . . . . 1.73 109.661 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.65 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.8 m-85 -109.24 149.07 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.381 0.61 . . . . 1.49 111.177 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.3 mttt -125.33 131.59 53.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.219 -0.9 . . . . 2.95 109.782 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 p -99.23 -165.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 1.89 109.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.67 29.51 3.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.929 0.395 . . . . 3.19 110.697 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.98 18.76 10.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.143 -0.48 . . . . 2.68 111.081 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.6 33.66 22.09 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.026 0.441 . . . . 2.57 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -132.06 146.05 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.061 -0.518 . . . . 3.49 110.488 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.84 156.41 23.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.635 . . . . 2.28 110.326 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.9 mt -141.84 159.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.8 -0.636 . . . . 2.11 110.26 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 49' ' ' ILE . 90.9 m -91.51 144.74 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.47 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.75 148.11 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 1.23 110.564 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.717 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -96.35 146.94 32.19 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.742 -0.663 . . . . 2.22 109.81 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -80.29 4.67 6.62 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 121.585 1.524 . . . . 1.21 113.458 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -109.54 15.56 22.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.771 -0.372 . . . . 3.39 111.113 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.29 161.45 13.59 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.042 0.449 . . . . 2.31 110.085 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -72.96 -61.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 3.69 110.791 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CE2' HG23 ' A' ' 58' ' ' VAL . 59.5 p-90 -57.3 -30.92 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 1.33 110.611 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.6 t -72.18 -37.84 60.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.814 -0.81 . . . . 0.97 108.814 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -66.12 -46.55 77.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.515 -0.766 . . . . 2.67 109.355 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.06 -32.23 72.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.428 -0.805 . . . . 1.87 109.138 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 7.4 m -64.69 -53.99 38.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.543 -0.753 . . . . 1.05 110.43 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 ptm -63.3 -41.35 98.94 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 1.92 110.383 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.92 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.299 0.571 . . . . 2.73 109.781 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' CD2' HD22 ' A' ' 20' ' ' LEU . 52.5 t80 -64.59 -52.87 55.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.375 -0.83 . . . . 1.59 109.588 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' LEU . 52.2 mt -65.5 -39.79 92.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.545 -0.752 . . . . 1.67 110.006 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.429 -0.805 . . . . 1.95 110.045 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -89.52 12.74 15.71 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.757 -0.656 . . . . 3.11 111.617 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -58.95 -31.48 68.76 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.069 0.462 . . . . 4.18 110.826 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.8 p -59.51 161.4 10.83 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.847 -0.615 . . . . 2.77 110.602 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.69 -163.37 0.22 Allowed 'Trans proline' 0 N--CA 1.474 0.361 0 C-N-CA 121.854 1.703 . . . . 4.16 112.341 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -50.12 -50.22 70.91 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.263 -0.426 . . . . 5.4 111.718 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.0 Cg_endo -82.01 167.11 16.4 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.646 1.564 . . . . 7.87 112.602 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -100.24 147.4 33.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.841 -0.618 . . . . 11.77 110.316 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--N 1.346 0.396 0 C-N-CA 121.839 1.693 . . . . 11.1 112.484 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.52 -1.432 . . . . 13.64 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.92 169.29 14.92 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 121.881 1.721 . . . . 12.69 112.576 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.03 53.16 3.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.351 0.596 . . . . 10.41 110.405 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.1 p 55.62 172.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.618 -0.719 . . . . 8.23 110.926 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.0 p -67.53 140.75 94.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.781 -0.645 . . . . 6.25 110.052 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.7 Cg_endo -82.59 -175.56 2.52 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 121.715 1.61 . . . . 5.11 112.583 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.513 HG22 ' H ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -88.31 174.86 7.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.82 -0.627 . . . . 4.67 110.309 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.513 ' H ' HG22 ' A' ' 7' ' ' THR . 5.1 t -91.19 12.71 19.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.81 -0.632 . . . . 3.87 111.444 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.3 m -109.25 174.97 5.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.458 . . . . 2.4 110.173 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -116.35 102.03 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 2.06 110.372 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -97.57 -33.25 11.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.718 -0.674 . . . . 2.43 110.457 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -90.13 76.7 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.78 -0.646 . . . . 3.12 110.429 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 52' ' ' ASP . 28.0 mt -62.94 140.2 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 1.94 110.373 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.65 140.2 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 1.66 110.245 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -93.75 -55.91 3.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.895 -0.593 . . . . 2.95 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -63.31 170.61 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.026 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -98.12 139.24 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 3.18 110.506 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 60.6 mt -89.9 139.62 27.6 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 115.698 -0.683 . . . . 1.44 109.865 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.95 155.42 34.05 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 121.382 1.388 . . . . 1.63 112.92 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.4 mt -80.94 -44.58 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.228 -0.896 . . . . 1.43 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.87 -29.39 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.151 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.76 -12.46 31.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.241 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.9 mt -70.41 140.86 52.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.203 0.525 . . . . 1.58 110.796 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.54 -36.82 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.483 -0.781 . . . . 3.03 110.149 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -176.41 -177.7 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.669 -0.696 . . . . 2.07 109.802 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.7 p90 -150.57 153.21 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.14 0.495 . . . . 1.74 110.706 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -134.01 119.82 19.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.684 -0.689 . . . . 3.6 110.573 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 39' ' ' VAL . 8.9 tmm_? -101.12 147.98 25.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 2.51 110.33 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.91 144.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.716 -0.675 . . . . 1.7 110.388 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.4 m -163.83 31.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.31 110.447 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -80.8 -172.36 3.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.927 -0.579 . . . . 3.47 110.498 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -103.29 32.15 7.9 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.807 -0.917 . . . . 2.68 110.807 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.38 -37.5 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.105 0.478 . . . . 5.35 110.428 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 m -86.9 155.34 55.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 2.1 110.385 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.35 -27.84 2.62 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.861 1.708 . . . . 2.27 112.569 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.77 124.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 3.28 110.371 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -60.68 162.02 7.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.853 -0.612 . . . . 3.31 110.513 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 -177.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 1.22 110.513 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -130.05 158.66 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.758 -0.655 . . . . 1.14 110.141 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 47.8 mt -127.85 130.61 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.323 -0.853 . . . . 1.73 109.534 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -109.07 148.34 30.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.261 0.553 . . . . 1.49 110.866 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.4 ttmt -122.7 138.49 54.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.471 -0.786 . . . . 2.95 109.751 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -104.01 -166.82 1.29 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.336 -0.847 . . . . 1.89 109.962 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.49 29.07 3.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 3.19 110.684 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 19.47 10.11 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.256 -0.429 . . . . 2.68 111.041 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 37.06 21.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.176 0.512 . . . . 2.57 110.662 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -130.68 152.29 50.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.49 110.581 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.671 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.4 m-20 -118.56 146.94 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.71 -0.677 . . . . 2.28 110.241 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 48' ' ' ASP . 40.2 mm -135.03 144.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 2.11 110.426 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.0 m -82.79 145.14 29.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.816 -0.629 . . . . 1.82 110.148 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.01 140.5 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.6 . . . . 1.23 110.703 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.7 p-10 -91.74 150.48 40.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 2.22 110.071 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 10.15 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.526 0 C-N-CA 121.735 1.623 . . . . 1.21 113.741 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 13.77 22.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.411 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.72 152.31 20.62 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.479 -0.488 . . . . 2.31 110.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -72.54 -31.71 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.665 . . . . 3.69 110.998 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.474 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.2 p-90 -83.89 -27.89 28.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.436 -0.505 . . . . 1.33 110.257 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.3 t -75.07 -46.73 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.375 -0.602 . . . . 0.97 109.375 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -39.12 88.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.824 -0.625 . . . . 2.67 109.942 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -34.72 67.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.063 -0.717 . . . . 1.87 109.063 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.2 m -64.82 -51.77 60.36 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.32 -0.855 . . . . 1.05 110.205 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -63.51 -41.82 98.5 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.249 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -64.62 -36.02 82.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 2.73 109.801 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.9 t80 -62.83 -54.82 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.358 -0.837 . . . . 1.59 109.743 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 75.9 mt -64.8 -41.09 96.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.59 -0.732 . . . . 1.67 109.953 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.37 -34.7 77.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 1.95 110.019 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -90.21 12.42 18.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.723 -0.671 . . . . 3.11 111.469 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.18 21.91 4.09 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 121.0 -0.28 . . . . 4.18 111.628 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.404 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -60.71 -52.84 69.71 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.771 -0.372 . . . . 2.77 110.811 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 69' ' ' SER . 39.3 Cg_endo -80.19 -62.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 121.692 1.595 . . . . 4.16 112.985 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -144.63 148.22 39.03 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.928 -0.578 . . . . 5.4 110.46 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -82.27 84.17 1.89 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.78 1.653 . . . . 7.87 112.539 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -148.66 152.39 37.69 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.866 -0.607 . . . . 11.77 110.494 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.474 0.378 0 C-N-CA 121.845 1.696 . . . . 11.1 112.599 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.545 -1.422 . . . . 13.64 109.545 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.15 60.01 7.26 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 121.835 1.69 . . . . 12.69 112.531 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.43 -173.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.731 -0.668 . . . . 10.41 110.46 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.0 m -72.53 -70.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 8.23 110.443 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.0 p -64.48 112.81 8.59 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.885 -0.598 . . . . 6.25 110.152 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -82.41 -62.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 121.547 1.498 . . . . 5.11 112.731 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -163.91 174.43 11.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 4.67 110.575 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -114.65 -54.85 2.54 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.79 -0.641 . . . . 3.87 109.768 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 m -93.58 -170.39 2.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.102 -0.954 . . . . 2.4 109.695 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -163.52 143.69 8.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 2.06 110.848 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -116.39 -39.53 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 2.43 110.436 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.15 91.6 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.619 . . . . 3.12 110.478 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 52' ' ' ASP . 18.9 mt -77.14 140.61 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.94 110.497 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.92 146.1 55.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 1.66 110.589 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -107.43 -37.08 6.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.65 . . . . 2.95 110.296 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.17 129.07 34.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 4.27 110.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 1.2 pttp -61.45 138.66 58.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 3.18 110.653 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.451 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.9 mt -96.98 140.1 21.91 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.573 -0.739 . . . . 1.44 109.923 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -78.02 157.6 30.62 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.349 1.366 . . . . 1.63 112.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.883 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.8 mt -80.68 -42.91 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 1.43 111.132 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.4 -29.73 66.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.086 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -91.44 -12.82 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.369 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -73.8 145.54 44.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.346 0.593 . . . . 1.58 111.083 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.06 -41.27 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.03 110.15 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -169.89 -177.03 2.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.934 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.67 148.47 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.29 0.567 . . . . 1.74 110.809 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.88 108.96 14.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 3.6 110.177 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -80.53 145.01 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.404 0.621 . . . . 2.51 110.649 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 40' ' ' ILE . 1.8 mm -104.67 -158.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.284 -0.871 . . . . 1.7 108.654 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.53 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 73.78 29.26 1.5 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.971 0.415 . . . . 2.31 110.347 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 t -75.96 -32.71 59.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 3.47 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.42 -31.2 2.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.774 -0.931 . . . . 2.68 110.774 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -32.64 61.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 5.35 110.89 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.74 149.16 63.35 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.059 -0.518 . . . . 2.1 110.482 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -83.52 -29.11 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.862 1.708 . . . . 2.27 112.822 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -113.91 174.46 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 3.28 110.784 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -108.74 140.07 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.611 -0.722 . . . . 3.31 110.123 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.25 -173.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.182 0.515 . . . . 1.22 110.978 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 93.2 t -144.46 159.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.474 -0.784 . . . . 1.14 109.592 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 29' ' ' ILE . 37.1 mt -127.73 134.41 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 1.73 109.602 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.5 m-85 -112.89 148.57 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.275 0.56 . . . . 1.49 110.955 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.782 ' O ' HD23 ' A' ' 23' ' ' LEU . 42.2 tttp -123.53 138.52 54.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.392 -0.822 . . . . 2.95 109.853 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.8 p -101.64 -169.75 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.396 -0.82 . . . . 1.89 110.142 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -98.48 29.34 3.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.763 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.21 22.2 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 2.68 110.899 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 45.68 9.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.329 0.585 . . . . 2.57 110.606 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.59 152.27 45.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.757 -0.656 . . . . 3.49 110.45 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -122.47 152.28 40.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 2.28 110.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.7 mt -137.93 159.76 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 2.11 110.223 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 96.1 m -98.18 144.51 27.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 1.82 110.413 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -147.03 153.03 39.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 1.23 110.814 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.646 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -102.34 145.83 31.22 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.603 -0.726 . . . . 2.22 109.75 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.44 1.67 8.54 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 121.512 1.474 . . . . 1.21 113.701 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -100.82 13.49 34.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.621 -0.432 . . . . 3.39 111.149 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -100.68 156.63 17.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.113 0.482 . . . . 2.31 110.387 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.26 -37.55 60.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.87 -0.604 . . . . 3.69 110.919 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.52 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.8 p-90 -79.09 -29.15 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 1.33 110.45 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.5 t -74.28 -41.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.443 -0.577 . . . . 0.97 109.443 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -63.04 -46.26 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 2.67 109.711 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -35.69 79.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.539 -0.755 . . . . 1.87 109.341 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -65.06 -50.62 65.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.341 -0.845 . . . . 1.05 110.042 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.3 ttm -62.92 -45.04 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 1.92 110.098 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -64.47 -34.58 78.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.809 -0.632 . . . . 2.73 109.708 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.883 ' CD2' HD22 ' A' ' 20' ' ' LEU . 36.5 t80 -62.92 -53.81 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 1.59 109.978 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 26' ' ' TYR . 51.1 mt -65.15 -40.57 94.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.445 0.64 . . . . 1.67 110.03 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.81 -31.65 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.14 -0.936 . . . . 1.95 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -89.5 -36.55 15.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.034 -0.53 . . . . 3.11 110.505 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -92.0 25.08 2.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.745 -0.661 . . . . 4.18 111.462 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -54.4 164.21 1.12 Allowed Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 121.147 -0.221 . . . . 2.77 111.005 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.8 -178.43 4.17 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 121.93 1.754 . . . . 4.16 112.703 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.7 p -69.85 152.75 95.93 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.731 -0.668 . . . . 5.4 110.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.39 -56.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.475 0.385 0 C-N-CA 121.961 1.774 . . . . 7.87 112.67 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 90.07 5.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.9 -0.591 . . . . 11.77 110.443 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.757 1.638 . . . . 11.1 112.592 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.561 -1.416 . . . . 13.64 109.561 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -81.91 -61.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 121.89 1.726 . . . . 12.69 112.74 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.41 -70.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 10.41 110.401 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.55 -73.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 8.23 110.48 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 5' ' ' VAL . 12.3 m -115.13 83.24 9.69 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.017 -0.538 . . . . 6.25 110.566 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -82.57 55.25 5.23 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.854 1.703 . . . . 5.11 112.557 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 8' ' ' THR . 5.0 t -163.14 174.03 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 4.67 110.451 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -156.61 -177.68 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 3.87 110.502 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -80.16 154.2 28.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.664 -0.698 . . . . 2.4 110.415 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.97 161.61 29.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 2.06 110.787 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.14 -46.92 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.568 -0.742 . . . . 2.43 110.338 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.06 86.04 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 3.12 110.319 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 52' ' ' ASP . 24.2 mt -69.57 140.93 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.721 -0.672 . . . . 1.94 110.411 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 142.94 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.655 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -105.18 -35.89 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 2.95 110.212 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -82.59 129.46 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.677 . . . . 4.27 110.113 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 6.4 pttt -61.2 142.16 56.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 3.18 110.858 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.1 mt -97.12 140.06 21.86 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.546 -0.752 . . . . 1.44 109.847 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.83 155.61 30.76 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.346 1.364 . . . . 1.63 112.94 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 64' ' ' TYR . 40.5 mt -80.85 -40.66 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.249 -0.887 . . . . 1.43 110.974 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -58.74 -30.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.31 111.03 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -94.33 -10.16 33.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.527 . . . . 4.07 111.335 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.3 mt -74.43 142.09 44.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.35 0.595 . . . . 1.58 110.994 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.46 -40.77 3.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.371 -0.831 . . . . 3.03 110.056 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 t -178.79 163.1 1.39 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.73 -0.668 . . . . 2.07 109.767 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -125.92 153.23 44.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.265 0.555 . . . . 1.74 111.062 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -127.56 107.36 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 3.6 110.138 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -66.14 148.84 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 2.51 110.744 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 40' ' ' ILE . 50.0 mm -100.48 136.71 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.378 -0.828 . . . . 1.7 109.936 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t 174.8 62.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.589 -0.732 . . . . 2.31 109.862 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -59.99 -39.62 86.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 3.47 110.849 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.22 -60.39 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.595 -1.002 . . . . 2.68 110.595 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 32.68 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.507 . . . . 5.35 110.014 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.02 166.91 30.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 2.1 110.582 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -79.02 -32.52 1.82 Allowed 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 121.748 1.632 . . . . 2.27 112.443 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.37 135.77 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.789 -0.641 . . . . 3.28 110.711 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -68.57 172.15 6.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.817 -0.628 . . . . 3.31 110.059 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.52 -166.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 1.22 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 ' O ' HD13 ' A' ' 40' ' ' ILE . 45.6 t -141.22 158.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.237 0.541 . . . . 1.14 110.06 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.746 ' CG1' HD11 ' A' ' 29' ' ' ILE . 26.4 mm -128.3 146.53 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.536 -0.756 . . . . 1.73 109.566 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.685 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -126.58 148.44 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.375 0.607 . . . . 1.49 111.321 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.3 mttt -125.04 131.9 53.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.165 -0.925 . . . . 2.95 109.612 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 p -99.31 -163.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.81 -0.632 . . . . 1.89 110.045 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -93.18 21.27 6.07 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.499 -0.319 . . . . 3.19 111.311 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.56 18.96 14.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.925 -0.31 . . . . 2.68 111.027 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.42 32.79 22.02 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.982 0.42 . . . . 2.57 110.701 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -123.05 148.28 45.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.583 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.642 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -113.55 146.38 39.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.76 -0.655 . . . . 2.28 110.368 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.3 mm -132.28 155.81 41.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 2.11 110.422 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.0 m -94.08 140.67 29.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -146.97 148.87 32.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 1.23 110.808 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB3' HD13 ' A' ' 13' ' ' LEU . 4.2 p-10 -95.95 152.78 39.19 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.806 -0.634 . . . . 2.22 110.204 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.02 5.4 6.25 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 121.774 1.649 . . . . 1.21 113.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.29 19.03 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.563 -0.455 . . . . 3.39 111.25 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.7 mmtm -100.67 151.03 22.13 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.124 0.488 . . . . 2.31 110.305 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -72.73 -34.01 66.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.829 -0.623 . . . . 3.69 111.036 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.5 p-90 -84.1 -28.32 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.405 -0.518 . . . . 1.33 110.413 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.691 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.8 t -73.05 -45.09 55.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.26 -0.644 . . . . 0.97 109.26 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.25 -46.8 88.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.717 -0.674 . . . . 2.67 109.782 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -33.4 75.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.447 -0.797 . . . . 1.87 109.254 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -65.19 -54.83 23.63 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.406 -0.816 . . . . 1.05 110.312 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.438 ' CE ' HG12 ' A' ' 58' ' ' VAL . 24.4 ptp -61.36 -38.71 87.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 1.92 110.395 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.5 -37.28 84.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.282 0.563 . . . . 2.73 109.656 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.476 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.0 t80 -62.96 -54.75 33.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.319 -0.855 . . . . 1.59 109.628 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 79.1 mt -65.13 -40.71 94.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.76 . . . . 1.67 109.837 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.21 -29.01 68.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.851 . . . . 1.95 110.056 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -36.2 68.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.082 -0.508 . . . . 3.11 110.44 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -33.72 75.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.626 . . . . 4.18 109.988 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' CB ' ' CD ' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -75.78 179.12 1.54 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.555 -0.748 . . . . 2.77 110.059 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 39.7 Cg_endo -81.04 7.89 4.67 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 121.624 1.549 . . . . 4.16 113.636 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.43 91.27 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.978 -0.289 . . . . 5.4 110.711 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.87 -25.02 3.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 121.852 1.701 . . . . 7.87 112.717 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 7.3 mmtt 177.78 -55.52 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.93 -0.577 . . . . 11.77 110.434 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.9 Cg_endo . . . . . 0 C--N 1.347 0.492 0 C-N-CA 121.45 1.434 . . . . 11.1 112.54 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.513 -1.435 . . . . 13.64 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -82.07 -39.51 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 121.871 1.714 . . . . 12.69 112.563 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.3 178.33 4.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.41 110.331 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -97.26 -37.65 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 8.23 110.486 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.5 m -62.69 153.78 77.14 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.731 -0.668 . . . . 6.25 110.458 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -81.35 -63.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.827 1.684 . . . . 5.11 112.724 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.5 m 56.85 97.95 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.993 -0.549 . . . . 4.67 110.674 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.3 m -154.97 147.07 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 3.87 110.461 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.02 -176.99 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 2.4 110.401 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 t -78.52 138.72 38.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.873 -0.603 . . . . 2.06 110.765 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -124.06 31.91 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 2.43 110.122 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -159.01 82.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.759 -0.655 . . . . 3.12 110.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 52' ' ' ASP . 34.8 mt -64.98 140.48 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.676 . . . . 1.94 110.479 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.79 150.85 46.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.561 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.9 -48.55 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 2.95 110.384 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 121.33 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 4.27 110.148 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.13 138.15 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.722 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.407 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.4 mt -89.94 139.98 27.59 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 115.527 -0.761 . . . . 1.44 109.892 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.39 158.03 36.81 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 121.335 1.357 . . . . 1.63 112.799 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.3 mt -80.45 -43.76 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.43 111.192 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.35 -29.49 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 2.31 111.131 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -92.63 -12.44 31.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.449 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.82 146.41 49.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.502 0.667 . . . . 1.58 111.205 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -120.02 -42.1 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.087 -0.961 . . . . 3.03 110.191 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -178.93 158.88 0.98 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.796 -0.638 . . . . 2.07 109.864 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 15.5 p90 -122.14 158.49 29.2 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.554 -0.458 . . . . 1.74 110.709 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -136.42 109.22 7.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 3.6 110.449 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -87.02 149.69 24.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 2.51 110.546 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 40' ' ' ILE . 49.7 mt -116.07 153.98 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.68 -0.691 . . . . 1.7 110.205 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.8 m -164.01 34.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.879 -0.6 . . . . 2.31 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 137.88 58.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.47 110.583 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.63 -35.03 91.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 2.68 110.76 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -72.4 -29.16 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 5.35 110.65 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.0 148.7 69.55 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.127 -0.488 . . . . 2.1 110.511 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.9 -29.98 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.826 1.684 . . . . 2.27 112.55 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -147.05 144.31 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 3.28 110.39 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.8 OUTLIER -89.74 143.06 27.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 3.31 110.355 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.57 -177.35 6.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.22 110.386 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -126.58 158.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.376 0.608 . . . . 1.14 110.594 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 29' ' ' ILE . 49.5 mt -130.72 130.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.247 -0.888 . . . . 1.73 109.481 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.639 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.2 m-85 -108.37 147.83 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.413 0.625 . . . . 1.49 111.098 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.658 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.8 tttp -126.25 139.31 53.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.255 -0.884 . . . . 2.95 109.712 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -98.77 -166.34 1.35 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.316 -0.856 . . . . 1.89 109.865 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -98.23 30.17 3.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.965 0.412 . . . . 3.19 110.705 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -125.17 21.57 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.049 -0.523 . . . . 2.68 110.917 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.07 36.94 18.19 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.12 0.486 . . . . 2.57 110.603 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -128.6 151.16 49.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.595 . . . . 3.49 110.45 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.679 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 m-20 -124.69 148.14 48.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.368 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.5 mm -135.76 155.51 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 2.11 110.206 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 9.0 m -87.06 153.83 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 1.82 110.317 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.0 152.58 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 1.23 110.573 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.697 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -109.99 157.26 38.32 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.691 -0.686 . . . . 2.22 109.829 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.55 7.39 5.03 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 121.732 1.622 . . . . 1.21 113.6 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -105.02 10.89 33.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.413 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.9 mmtm -100.68 150.84 22.33 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.062 0.458 . . . . 2.31 110.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 3.69 110.623 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.4 p-90 -74.41 -27.51 60.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 1.33 110.568 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 52' ' ' ASP . 96.8 t -76.05 -39.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.189 -0.671 . . . . 0.97 109.189 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.1 -47.1 81.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.767 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.25 -35.02 78.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 1.87 109.353 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -65.78 -50.33 65.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.083 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.346 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.38 -38.79 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 2.73 109.814 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 20' ' ' LEU . 75.4 t80 -66.07 -48.84 69.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.341 -0.845 . . . . 1.59 109.755 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 65' ' ' LEU . 72.8 mt -66.61 -40.57 88.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.644 -0.707 . . . . 1.67 110.179 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -35.52 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.341 -0.845 . . . . 1.95 110.211 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -83.47 -31.66 26.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 3.11 110.59 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.73 -30.2 68.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.889 -0.596 . . . . 4.18 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -56.2 109.41 1.65 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.05 -0.523 . . . . 2.77 110.776 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.87 95.32 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.666 1.577 . . . . 4.16 112.621 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 p 48.1 90.57 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.53 0 CA-C-N 115.833 -0.622 . . . . 5.4 111.436 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.2 -51.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.475 0.387 0 C-N-CA 121.792 1.661 . . . . 7.87 112.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 83.1 14.72 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.894 -0.594 . . . . 11.77 110.428 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.22 -0.396 0 C-N-CA 121.899 1.733 . . . . 11.1 112.578 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.551 -1.42 . . . . 13.64 109.551 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.11 -28.47 1.97 Allowed 'Trans proline' 0 N--CA 1.475 0.383 0 C-N-CA 121.831 1.688 . . . . 12.69 112.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.36 89.91 0.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.853 -0.612 . . . . 10.41 110.385 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -134.33 32.88 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 8.23 110.419 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.5 p -129.82 86.49 54.95 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.798 -0.637 . . . . 6.25 110.166 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.7 135.72 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.391 0 C-N-CA 121.924 1.749 . . . . 5.11 112.534 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -68.1 80.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.824 -0.625 . . . . 4.67 110.414 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.586 HG22 ' SG ' ' A' ' 34' ' ' CYS . 6.3 m -105.92 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 3.87 110.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 29' ' ' ILE . 1.3 m -125.04 160.03 29.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 2.4 110.217 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.92 132.51 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.626 . . . . 2.06 110.639 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -118.98 -43.27 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 2.43 110.351 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -81.7 86.79 6.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 3.12 110.203 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 52' ' ' ASP . 44.2 mt -60.95 140.95 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.645 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.02 134.61 36.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.783 -0.644 . . . . 1.66 110.608 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -100.59 -31.78 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.685 -0.689 . . . . 2.95 110.218 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -72.13 121.68 19.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.885 -0.598 . . . . 4.27 110.505 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -58.01 136.63 57.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.702 -0.681 . . . . 3.18 110.734 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.5 mt -104.82 139.86 20.51 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.735 -0.666 . . . . 1.44 109.871 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -78.85 157.1 27.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.434 1.423 . . . . 1.63 113.086 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 64' ' ' TYR . 35.7 mt -80.78 -43.82 19.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.204 -0.907 . . . . 1.43 111.176 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.66 -29.42 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.799 -0.637 . . . . 2.31 111.138 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -90.33 -12.06 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 4.07 111.507 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -74.39 142.8 45.0 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.315 0.579 . . . . 1.58 110.913 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.66 -35.49 5.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.372 -0.831 . . . . 3.03 110.24 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -176.72 -171.72 0.4 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.88 -0.6 . . . . 2.07 109.914 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.1 p90 -153.62 152.48 30.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.192 0.52 . . . . 1.74 110.943 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 33.9 mtm-85 -128.48 119.44 24.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.553 -0.748 . . . . 3.6 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' HG3' HG22 ' A' ' 39' ' ' VAL . 31.7 ttt85 -107.0 148.27 28.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 2.51 110.38 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 9' ' ' CYS . 42.7 mt -124.78 136.06 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 1.7 110.222 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 37' ' ' LYS . 4.8 p -159.41 30.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.792 -0.64 . . . . 2.31 110.496 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -74.68 -178.79 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 3.47 110.515 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.72 31.16 8.7 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.799 -0.92 . . . . 2.68 110.799 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -122.16 -44.34 2.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.172 0.511 . . . . 5.35 110.448 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 8' ' ' THR . 1.2 m -61.51 156.34 53.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 2.1 110.271 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.63 -26.79 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.871 1.714 . . . . 2.27 112.51 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.89 156.11 41.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.837 -0.62 . . . . 3.28 110.339 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -90.37 147.06 23.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.795 -0.639 . . . . 3.31 110.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.49 -177.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.602 . . . . 1.22 110.431 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' SD ' ' A' ' 62' ' ' MET . 41.3 t -132.19 158.44 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.767 -0.651 . . . . 1.14 110.479 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -132.66 130.68 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.685 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 58' ' ' VAL . 36.6 m-85 -109.2 147.93 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.196 0.522 . . . . 1.49 110.817 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 130.75 46.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.756 . . . . 2.95 110.01 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.0 p -89.75 -166.27 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.485 -0.779 . . . . 1.89 109.909 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -97.57 30.67 2.82 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.001 0.429 . . . . 3.19 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mt -126.45 21.39 7.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.07 -0.514 . . . . 2.68 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 37.66 18.02 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.148 0.499 . . . . 2.57 110.492 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -127.63 141.86 51.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.589 . . . . 3.49 110.463 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.1 m-20 -116.24 145.8 42.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.391 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.8 mm -135.04 153.77 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 2.11 110.228 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.58 143.28 26.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.387 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.6 143.17 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.382 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 12.0 p-10 -89.81 150.13 43.31 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.95 -0.568 . . . . 2.22 110.118 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -80.54 4.24 7.04 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 121.633 1.555 . . . . 1.21 113.486 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -110.16 22.19 15.86 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.609 -0.437 . . . . 3.39 111.097 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 7.7 mmtm -100.57 158.61 15.8 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.064 0.459 . . . . 2.31 110.17 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -77.15 -41.19 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.817 -0.629 . . . . 3.69 110.61 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 67.9 p-90 -80.1 -28.61 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 1.33 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 61.1 t -73.04 -42.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.192 -0.669 . . . . 0.97 109.192 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.87 -47.92 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 2.67 109.436 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -34.64 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.354 -0.839 . . . . 1.87 109.244 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -63.65 -52.19 61.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.396 -0.82 . . . . 1.05 110.032 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 39' ' ' VAL . 50.6 mtm -60.4 -45.3 94.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.774 -0.648 . . . . 1.92 110.394 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.99 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 2.73 109.799 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.842 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.4 t80 -61.68 -49.06 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.352 -0.84 . . . . 1.59 110.056 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 26' ' ' TYR . 58.5 mt -68.84 -38.89 80.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 1.67 110.453 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.88 -25.05 62.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.281 -0.872 . . . . 1.95 110.929 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -90.29 -25.98 20.25 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.944 0.35 . . . . 3.11 111.944 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -22.29 34.41 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.683 -0.407 . . . . 4.18 111.548 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -57.54 133.96 82.13 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.542 -0.299 . . . . 2.77 110.628 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.62 -41.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 121.692 1.595 . . . . 4.16 112.715 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 p 58.52 160.72 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.473 0 CA-C-N 115.445 -0.798 . . . . 5.4 110.614 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.9 132.11 6.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 121.8 1.666 . . . . 7.87 112.627 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 3.3 tttt -79.73 -52.34 1.09 Allowed Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 115.758 -0.655 . . . . 11.77 110.608 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 73' ' ' LYS . 40.4 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 121.622 1.548 . . . . 11.1 112.569 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.511 -1.436 . . . . 13.64 109.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.88 112.93 2.42 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.844 1.696 . . . . 12.69 112.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.27 86.14 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 10.41 110.381 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 p -164.88 32.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.619 . . . . 8.23 110.471 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 33' ' ' LYS . 12.1 t -64.11 -45.16 79.42 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 115.796 -0.638 . . . . 6.25 111.449 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.6 Cg_endo -80.03 155.87 23.12 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.281 1.321 . . . . 5.11 112.33 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 8' ' ' THR . 2.8 t -140.02 -47.16 0.44 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.109 -0.496 . . . . 4.67 110.992 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.474 ' N ' HG23 ' A' ' 7' ' ' THR . 11.9 m -164.04 115.87 1.35 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.154 0.502 . . . . 3.87 111.055 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 161.33 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.715 -0.675 . . . . 2.4 110.168 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 140.43 58.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.768 -0.651 . . . . 2.06 110.685 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -127.61 172.74 10.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 2.43 109.562 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 41.72 76.73 0.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.29 0.567 . . . . 3.12 111.403 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 52' ' ' ASP . 10.1 mt -56.14 139.67 46.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.497 -0.774 . . . . 1.94 111.143 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -60.93 139.26 58.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.455 -0.793 . . . . 1.66 110.597 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.9 -35.03 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.778 -0.647 . . . . 2.95 110.117 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -74.26 170.61 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.27 110.007 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -100.1 144.61 28.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.242 0.544 . . . . 3.18 110.603 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.7 mt -107.2 140.01 21.03 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.667 -0.697 . . . . 1.44 109.783 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.78 157.59 31.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.355 1.37 . . . . 1.63 113.053 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.5 mt -80.53 -40.13 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.34 -0.845 . . . . 1.43 111.128 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.63 -30.68 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.641 . . . . 2.31 111.171 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -90.4 -12.17 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 4.07 111.489 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.59 146.6 44.56 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.461 0.648 . . . . 1.58 111.161 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.26 -41.23 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.148 -0.933 . . . . 3.03 110.074 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -171.96 -174.21 1.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.698 -0.683 . . . . 2.07 109.894 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -153.73 153.4 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.242 0.544 . . . . 1.74 110.925 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -136.61 121.13 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.591 -0.731 . . . . 3.6 110.352 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -97.11 149.12 22.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 40' ' ' ILE . 41.7 mt -126.53 136.83 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 1.7 110.47 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 30' ' ' THR . 27.4 m -164.15 42.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 2.31 110.181 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -72.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.723 -0.671 . . . . 3.47 110.75 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.37 -37.46 1.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.778 -0.929 . . . . 2.68 110.778 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.676 ' O ' HG12 ' A' ' 5' ' ' VAL . 33.2 mttp -69.86 -31.64 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.085 0.469 . . . . 5.35 110.411 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.67 167.37 2.57 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.859 -0.61 . . . . 2.1 110.581 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -79.02 -29.73 3.12 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 121.839 1.693 . . . . 2.27 112.74 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -160.11 135.48 8.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 3.28 110.552 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 144.45 30.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.797 -0.638 . . . . 3.31 110.271 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.09 -173.96 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 1.22 110.34 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 40' ' ' ILE . 58.0 t -119.49 157.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.412 0.625 . . . . 1.14 110.264 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 29' ' ' ILE . 41.4 mt -128.1 130.13 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.158 -0.928 . . . . 1.73 109.515 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.662 ' CE2' HG13 ' A' ' 58' ' ' VAL . 35.0 m-85 -108.98 149.0 29.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.336 0.589 . . . . 1.49 110.863 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.0 mtpt -123.94 130.98 53.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 2.95 109.758 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -97.0 -168.24 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.631 . . . . 1.89 109.993 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.48 29.6 3.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 3.19 110.597 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 20.07 11.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.073 -0.512 . . . . 2.68 110.927 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.37 38.36 19.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.108 0.48 . . . . 2.57 110.608 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -136.14 158.42 44.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 3.49 110.63 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.0 157.83 33.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.674 -0.694 . . . . 2.28 110.374 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.7 mt -141.94 159.51 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 2.11 110.356 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.3 m -96.14 138.5 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.742 -0.663 . . . . 1.82 110.419 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.41 154.24 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.806 -0.633 . . . . 1.23 110.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.68 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -112.1 152.63 44.5 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.818 -0.628 . . . . 2.22 109.676 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -78.28 3.51 7.06 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 121.525 1.483 . . . . 1.21 113.667 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -98.75 9.41 43.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.649 -0.42 . . . . 3.39 111.307 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.34 158.17 16.08 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.093 0.473 . . . . 2.31 110.399 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -75.89 -47.02 27.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.804 -0.634 . . . . 3.69 110.726 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.573 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 66.5 p-90 -69.2 -27.15 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 1.33 110.478 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.68 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.9 t -76.95 -37.2 26.54 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 N-CA-C 109.097 -0.705 . . . . 0.97 109.097 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.06 -47.56 76.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 2.67 109.579 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.382 -0.826 . . . . 1.87 109.327 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.32 -50.05 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.421 -0.809 . . . . 1.05 109.966 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.7 ttp -64.52 -44.59 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 1.92 109.912 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -35.39 80.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 2.73 109.561 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.828 ' CD2' HD22 ' A' ' 20' ' ' LEU . 24.1 t80 -61.2 -55.36 33.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.332 -0.849 . . . . 1.59 109.809 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 26' ' ' TYR . 81.5 mt -66.31 -42.18 88.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.779 -0.646 . . . . 1.67 109.673 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.01 -23.56 65.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 1.95 110.193 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -78.12 -5.28 51.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.153 -0.476 . . . . 3.11 112.171 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 20.34 3.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 120.125 -0.63 . . . . 4.18 111.811 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -53.86 -49.13 91.12 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.511 0.189 . . . . 2.77 111.511 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 69' ' ' SER . 38.4 Cg_endo -78.0 87.54 1.52 Allowed 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 121.343 1.362 . . . . 4.16 112.484 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.15 167.36 13.2 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.487 -0.779 . . . . 5.4 110.093 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.83 158.93 24.56 Favored 'Trans proline' 0 N--CA 1.475 0.403 0 C-N-CA 121.552 1.501 . . . . 7.87 112.512 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 140.81 88.93 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.816 -0.629 . . . . 11.77 110.475 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--N 1.346 0.446 0 C-N-CA 121.751 1.634 . . . . 11.1 112.519 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.507 -1.437 . . . . 13.64 109.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.06 146.06 14.2 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 121.886 1.724 . . . . 12.69 112.466 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.23 110.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.814 -0.63 . . . . 10.41 110.408 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 p 56.0 -170.49 0.08 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.833 -0.621 . . . . 8.23 110.84 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.3 p -126.66 72.19 74.01 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.931 -0.577 . . . . 6.25 110.281 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.6 112.07 2.38 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.882 1.721 . . . . 5.11 112.577 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -100.18 33.39 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.605 . . . . 4.67 110.441 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.443 HG23 ' SG ' ' A' ' 9' ' ' CYS . 2.3 t -109.53 -30.35 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.81 -0.632 . . . . 3.87 110.706 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 8' ' ' THR . 26.5 m -106.58 -172.08 2.02 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.081 -0.509 . . . . 2.4 109.998 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.28 -66.84 1.04 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 2.06 110.373 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 60.34 31.11 20.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.847 -0.615 . . . . 2.43 110.658 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -178.14 83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 3.12 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 52' ' ' ASP . 35.2 mt -65.36 161.1 20.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.849 -0.614 . . . . 1.94 110.351 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.21 142.35 31.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.853 -0.612 . . . . 1.66 110.564 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.96 -35.38 9.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 2.95 110.277 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -78.31 113.42 16.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.663 -0.698 . . . . 4.27 110.078 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -59.77 137.48 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 3.18 110.739 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 59.0 mt -89.74 139.86 27.87 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.515 -0.766 . . . . 1.44 109.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -76.36 158.24 36.9 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.417 1.411 . . . . 1.63 112.958 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.8 mt -80.35 -43.27 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.337 -0.847 . . . . 1.43 111.178 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -28.86 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.31 111.105 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -94.94 -9.15 34.96 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.04 -0.527 . . . . 4.07 111.589 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' LYS . 4.9 mt -76.91 146.81 37.36 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.339 0.59 . . . . 1.58 111.134 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.54 -40.73 2.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.245 -0.889 . . . . 3.03 110.285 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -178.7 160.52 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.843 -0.617 . . . . 2.07 110.063 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.2 p90 -124.34 159.68 29.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.142 0.496 . . . . 1.74 110.629 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -135.06 103.31 5.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 3.6 110.538 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -81.4 144.96 31.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.636 . . . . 2.51 110.258 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 HD11 ' A' ' 40' ' ' ILE . 39.3 mt -118.84 138.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.633 -0.712 . . . . 1.7 110.511 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.719 HG23 ' CD ' ' A' ' 37' ' ' LYS . 21.0 m -163.77 31.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 2.31 110.398 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -84.5 -172.53 4.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 3.47 110.574 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.84 32.71 7.2 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.8 -0.92 . . . . 2.68 110.8 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.16 -32.81 7.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.452 . . . . 5.35 110.404 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.0 m -100.66 157.12 34.31 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.901 -0.591 . . . . 2.1 110.434 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.59 -33.12 0.72 Allowed 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 121.794 1.663 . . . . 2.27 112.635 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -127.5 139.61 52.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.789 -0.642 . . . . 3.28 110.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.719 ' CD ' HG23 ' A' ' 30' ' ' THR . 23.8 mtmm -72.54 153.88 41.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.351 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.03 -178.29 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.89 -0.595 . . . . 1.22 110.573 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 40' ' ' ILE . 37.5 t -135.39 159.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.623 -0.717 . . . . 1.14 110.153 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 39' ' ' VAL . 40.3 mt -135.48 132.15 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.716 . . . . 1.73 109.929 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.708 ' HE2' HG13 ' A' ' 58' ' ' VAL . 56.9 m-85 -111.11 147.59 34.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.308 0.575 . . . . 1.49 111.048 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.3 tttp -125.97 137.43 53.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.712 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.6 p -99.98 -166.65 1.36 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.375 -0.83 . . . . 1.89 109.98 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -97.92 30.36 3.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 3.19 110.662 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -125.03 20.67 8.24 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 2.68 111.1 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 43.85 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.297 0.57 . . . . 2.57 110.594 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -135.39 154.4 51.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 3.49 110.593 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.7 m-20 -128.29 144.0 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.653 -0.703 . . . . 2.28 110.305 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.9 mm -134.75 148.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 2.11 110.416 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.21 151.66 24.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 1.82 110.223 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -153.99 147.13 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.623 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.1 t0 -91.17 144.13 29.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.726 -0.67 . . . . 2.22 109.884 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -79.46 1.13 9.45 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 121.545 1.497 . . . . 1.21 113.537 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -110.36 22.35 15.61 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.592 -0.443 . . . . 3.39 110.98 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 179.38 4.45 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.087 0.47 . . . . 2.31 110.487 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -90.09 -57.79 2.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.77 -0.65 . . . . 3.69 110.91 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.414 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.8 p-90 -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 1.33 110.036 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HE2' ' A' ' 41' ' ' PHE . 54.8 t -70.84 -38.87 74.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 108.853 -0.795 . . . . 0.97 108.853 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.32 -47.09 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.453 -0.794 . . . . 2.67 109.214 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.82 -35.74 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.358 -0.837 . . . . 1.87 109.164 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -64.35 -53.84 42.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.356 -0.838 . . . . 1.05 109.926 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 33.8 ttm -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.225 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -65.93 -37.02 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.315 0.579 . . . . 2.73 109.878 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.764 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.4 t80 -63.42 -50.91 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.349 -0.841 . . . . 1.59 109.855 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 65' ' ' LEU . 65.8 mt -69.85 -39.88 76.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.421 0.629 . . . . 1.67 109.796 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.76 -31.23 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.14 -0.937 . . . . 1.95 110.258 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -59.77 -30.32 68.79 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.038 -0.528 . . . . 3.11 110.611 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.192 0.52 . . . . 4.18 110.398 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.405 ' CB ' ' CD ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -90.15 176.06 3.31 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.595 -0.73 . . . . 2.77 110.059 179.804 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 39.8 Cg_endo -81.17 112.52 2.57 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.693 1.596 . . . . 4.16 112.427 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -60.6 142.3 91.48 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.783 -0.644 . . . . 5.4 110.571 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -83.51 -166.0 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 121.791 1.66 . . . . 7.87 112.402 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mttt 60.24 163.7 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.858 -0.61 . . . . 11.77 110.628 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.221 -0.372 0 C-N-CA 121.873 1.715 . . . . 11.1 112.54 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.499 -1.44 . . . . 13.64 109.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 42.0 Cg_endo -85.24 13.26 2.82 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.957 1.771 . . . . 12.69 113.516 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 2' ' ' PRO . . . 69.87 -66.9 0.25 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.992 0.425 . . . . 10.41 110.699 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m 61.14 62.17 1.45 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.415 0.626 . . . . 8.23 110.351 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.2 m -59.24 153.36 47.69 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.659 -0.7 . . . . 6.25 110.665 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -81.52 -72.08 0.01 OUTLIER 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 121.924 1.749 . . . . 5.11 113.075 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -95.29 94.11 7.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.062 0.458 . . . . 4.67 110.586 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -164.59 -63.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.821 -0.627 . . . . 3.87 110.41 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.81 -172.35 3.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 2.4 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.21 113.6 23.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.98 -0.555 . . . . 2.06 110.399 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.08 -31.73 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 2.43 110.438 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.56 86.32 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 3.12 110.399 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 52' ' ' ASP . 33.7 mt -63.21 140.27 58.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 1.94 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 135.71 51.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.775 -0.648 . . . . 1.66 110.431 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -102.48 -34.11 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.747 -0.66 . . . . 2.95 110.309 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -77.08 128.25 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.826 -0.625 . . . . 4.27 110.288 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 40.2 mtmt -61.44 126.0 25.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 3.18 110.504 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 58.6 mt -89.9 139.66 27.6 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.707 -0.679 . . . . 1.44 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -79.08 157.39 26.7 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.535 1.49 . . . . 1.63 112.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.759 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.0 mt -80.74 -42.52 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.362 -0.835 . . . . 1.43 110.999 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -57.95 -30.05 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 2.31 110.996 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -90.03 -12.76 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.309 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.6 145.65 50.58 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.358 0.599 . . . . 1.58 110.842 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -120.65 -41.42 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.243 -0.889 . . . . 3.03 110.252 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 t -169.21 174.16 6.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 2.07 109.942 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.709 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.7 p90 -146.04 156.71 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.102 0.477 . . . . 1.74 110.754 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -133.05 122.8 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.677 -0.692 . . . . 3.6 110.542 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG3' HG22 ' A' ' 39' ' ' VAL . 30.4 ttp180 -100.78 146.37 27.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 2.51 110.326 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 40' ' ' ILE . 53.8 mt -132.97 135.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 1.7 110.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 30' ' ' THR . 6.6 m -163.99 31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.31 110.451 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -171.22 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 3.47 110.498 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 35.68 4.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.722 -0.951 . . . . 2.68 110.722 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -115.08 -56.22 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.185 0.517 . . . . 5.35 110.44 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.6 150.74 96.76 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 2.1 110.323 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.5 -28.28 1.87 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.847 1.698 . . . . 2.27 112.566 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -132.44 107.56 8.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.69 -0.686 . . . . 3.28 110.387 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -61.4 141.42 57.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.854 -0.612 . . . . 3.31 110.468 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.53 -177.55 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.859 -0.609 . . . . 1.22 110.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 ' HG3' ' A' ' 28' ' ' ARG . 60.9 t -120.0 158.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.691 -0.686 . . . . 1.14 110.314 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 29' ' ' ILE . 6.6 mt -127.38 130.37 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.238 -0.892 . . . . 1.73 109.344 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.4 m-85 -107.58 148.16 29.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.304 0.573 . . . . 1.49 111.019 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . 72.8 mttt -124.96 130.24 51.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.35 -0.841 . . . . 2.95 109.558 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.6 p -94.11 -167.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 1.89 110.017 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -98.37 30.12 3.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.236 -0.438 . . . . 3.19 110.679 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -123.54 20.75 9.48 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.062 -0.517 . . . . 2.68 110.944 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.43 39.31 18.61 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.222 0.534 . . . . 2.57 110.572 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -138.01 144.4 41.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 3.49 110.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -111.79 156.14 22.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.783 -0.644 . . . . 2.28 110.414 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.5 mt -140.63 159.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.872 -0.604 . . . . 2.11 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 68.6 m -92.45 146.64 23.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 1.82 110.479 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.92 133.29 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 1.23 110.552 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.726 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.3 p30 -92.6 157.59 39.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.206 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 11.69 3.05 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 121.839 1.693 . . . . 1.21 113.964 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -106.1 12.68 30.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.58 -0.448 . . . . 3.39 111.502 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -100.65 156.02 17.55 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.02 0.438 . . . . 2.31 110.37 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -34.39 58.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 3.69 111.053 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 70.7 p-90 -84.92 -26.42 27.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.449 -0.501 . . . . 1.33 110.421 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.9 t -73.11 -45.47 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 N-CA-C 109.098 -0.704 . . . . 0.97 109.098 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -48.31 82.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.572 -0.74 . . . . 2.67 109.682 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -32.56 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.442 -0.799 . . . . 1.87 109.267 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -65.57 -53.95 34.79 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.478 -0.783 . . . . 1.05 110.449 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.8 ptm -62.3 -37.88 87.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.125 -0.488 . . . . 1.92 110.672 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -72.46 -35.75 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.391 0.615 . . . . 2.73 109.841 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.759 ' CD2' HD22 ' A' ' 20' ' ' LEU . 57.7 t80 -66.22 -47.45 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.297 -0.865 . . . . 1.59 109.735 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 26' ' ' TYR . 65.2 mt -64.92 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.537 0.684 . . . . 1.67 109.995 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -46.84 88.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.913 -1.039 . . . . 1.95 110.938 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.32 -29.62 30.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.65 -0.42 . . . . 3.11 111.166 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -61.95 -24.91 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 4.18 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.8 p -47.74 104.93 0.44 Allowed Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.455 -0.339 . . . . 2.77 111.454 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.13 -165.63 0.32 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 121.785 1.656 . . . . 4.16 112.804 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.8 p 52.8 74.31 0.8 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.729 -0.668 . . . . 5.4 111.129 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.42 56.02 5.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.004 1.803 . . . . 7.87 112.466 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -113.46 89.76 15.89 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 115.852 -0.613 . . . . 11.77 110.555 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.22 -0.403 0 C-N-CA 121.813 1.676 . . . . 11.1 112.584 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.578 -1.409 . . . . 13.64 109.578 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.13 -55.23 0.03 OUTLIER 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 121.892 1.728 . . . . 12.69 112.597 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.35 84.08 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 10.41 110.402 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -84.79 89.78 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.876 -0.602 . . . . 8.23 110.411 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.33 139.54 22.47 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.899 -0.591 . . . . 6.25 110.238 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.96 151.7 14.28 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.677 1.585 . . . . 5.11 112.626 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -109.33 131.18 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 4.67 110.426 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.08 171.94 7.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 3.87 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -111.93 -71.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 2.4 110.464 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 -70.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.817 -0.629 . . . . 2.06 110.33 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 59.94 177.96 0.09 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.901 -0.59 . . . . 2.43 110.305 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 12' ' ' ASN . 4.0 p-10 41.55 61.22 1.9 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.516 0.674 . . . . 3.12 111.749 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 52' ' ' ASP . 9.3 mt -59.34 140.32 56.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.467 -0.788 . . . . 1.94 110.768 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 139.42 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.582 -0.736 . . . . 1.66 110.604 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -103.12 -33.45 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.731 -0.668 . . . . 2.95 110.282 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.64 152.85 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.276 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 30.8 mttp -81.72 127.59 33.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.815 -0.63 . . . . 3.18 110.447 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.637 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.87 139.65 27.64 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.919 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.8 157.47 31.42 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 121.41 1.406 . . . . 1.63 113.036 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.816 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.1 mt -80.63 -37.51 30.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.332 -0.849 . . . . 1.43 110.927 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -59.25 -31.53 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 2.31 110.863 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -88.97 -13.25 39.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 4.07 111.298 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.84 144.45 45.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.363 0.601 . . . . 1.58 111.039 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -120.28 -41.74 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.116 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -168.35 -176.15 2.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.818 -0.628 . . . . 2.07 109.781 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -154.52 164.62 38.41 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 1.74 110.853 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -148.25 122.3 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 3.6 110.469 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 39' ' ' VAL . 11.4 ttm180 -92.63 143.57 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 2.51 110.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 40' ' ' ILE . 53.3 mt -116.06 136.1 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.4 -0.818 . . . . 1.7 110.248 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 30' ' ' THR . 17.9 m -149.46 31.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.805 -0.634 . . . . 2.31 110.447 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 132.63 46.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.467 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.2 -27.69 65.58 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.022 -0.831 . . . . 2.68 111.022 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -69.76 -32.49 71.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.026 0.441 . . . . 5.35 110.643 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.21 150.03 97.39 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.961 -0.563 . . . . 2.1 110.352 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.84 -28.01 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.864 1.709 . . . . 2.27 112.596 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -133.73 129.1 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 3.28 110.668 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 106.46 17.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.859 -0.609 . . . . 3.31 109.787 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.56 -176.76 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.322 0.582 . . . . 1.22 111.043 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 28' ' ' ARG . 89.4 t -119.43 159.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.303 -0.862 . . . . 1.14 109.86 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -126.7 130.33 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.441 -0.799 . . . . 1.73 109.368 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.627 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -106.56 147.2 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.328 0.585 . . . . 1.49 111.055 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.5 mmtp -115.94 129.05 56.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.127 -0.942 . . . . 2.95 109.212 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.3 p -98.54 -166.35 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.175 -0.466 . . . . 1.89 110.084 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -96.03 28.29 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.887 0.375 . . . . 3.19 111.016 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.72 18.54 7.99 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.291 -0.413 . . . . 2.68 111.058 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.69 35.37 22.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.147 0.499 . . . . 2.57 110.655 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -126.28 147.64 49.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 3.49 110.671 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.44 139.52 48.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.759 -0.655 . . . . 2.28 110.278 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -126.42 159.46 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 2.11 110.238 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 87.3 m -92.73 143.89 25.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.268 -0.878 . . . . 1.82 110.114 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.24 137.55 19.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 1.23 110.7 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.805 ' HB3' HD13 ' A' ' 13' ' ' LEU . 16.0 p30 -89.89 149.15 41.3 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.861 -0.609 . . . . 2.22 110.096 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.96 9.63 3.86 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 121.807 1.671 . . . . 1.21 113.897 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.18 17.52 20.89 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.554 -0.458 . . . . 3.39 111.369 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.8 174.2 6.15 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.121 0.486 . . . . 2.31 110.462 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -88.78 -47.13 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 3.69 110.592 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.637 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 65.5 p-90 -72.06 -31.01 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 1.33 110.056 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 ' O ' ' A' ' 52' ' ' ASP . 60.0 t -71.12 -40.91 75.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.307 -0.627 . . . . 0.97 109.307 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 2.67 109.528 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.81 -33.76 68.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.474 -0.785 . . . . 1.87 109.129 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -68.01 -53.03 28.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.417 -0.811 . . . . 1.05 110.446 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -34.9 79.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 1.92 110.199 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.61 66.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.374 0.607 . . . . 2.73 109.478 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.3 t80 -63.27 -49.97 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.169 -0.923 . . . . 1.59 109.906 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 26' ' ' TYR . 44.9 mt -65.5 -42.94 91.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.873 -0.603 . . . . 1.67 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.1 -32.17 72.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.404 -0.817 . . . . 1.95 110.456 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.84 -38.85 17.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.94 -0.573 . . . . 3.11 110.727 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -59.37 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.677 . . . . 4.18 110.699 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.3 p -57.33 109.75 1.97 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.642 -0.708 . . . . 2.77 110.746 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -85.15 11.39 3.39 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 4.16 113.322 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -143.13 85.16 9.89 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 120.803 -0.359 . . . . 5.4 110.446 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.27 144.84 13.29 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 121.845 1.697 . . . . 7.87 112.61 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -63.98 153.49 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.883 -0.598 . . . . 11.77 110.382 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.419 0 C-N-CA 121.83 1.687 . . . . 11.1 112.58 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.559 -1.416 . . . . 13.64 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.12 -27.56 2.35 Favored 'Trans proline' 0 N--CA 1.475 0.397 0 C-N-CA 121.856 1.704 . . . . 12.69 112.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.513 ' HB1' HG22 ' A' ' 5' ' ' VAL . . . 65.29 -77.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.819 -0.628 . . . . 10.41 110.601 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.36 31.35 20.36 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.219 -0.446 . . . . 8.23 110.612 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG22 ' HB1' ' A' ' 3' ' ' ALA . 10.3 m -112.18 90.76 14.46 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.936 -0.574 . . . . 6.25 110.495 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.76 76.74 4.36 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.71 1.606 . . . . 5.11 112.533 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 7' ' ' THR . 19.7 m -103.78 31.92 4.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.772 -0.649 . . . . 4.67 110.402 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.431 HG22 ' H ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER 60.97 176.17 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.949 -0.569 . . . . 3.87 110.419 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 87.3 m -80.1 -20.23 45.57 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.853 -0.612 . . . . 2.4 111.19 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 40' ' ' ILE . 1.3 m 63.43 76.76 0.35 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.141 0.496 . . . . 2.06 110.087 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 64.6 m-85 -81.85 -34.7 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.357 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.09 82.79 8.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 3.12 110.465 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD13 ' CG ' ' A' ' 52' ' ' ASP . 14.1 mt -61.74 140.39 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 1.94 110.313 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -61.84 140.2 58.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 1.66 110.514 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -101.79 -38.12 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.888 -0.596 . . . . 2.95 110.194 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.75 132.33 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.682 -0.69 . . . . 4.27 109.894 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 23.5 mttt -61.81 135.05 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.606 . . . . 3.18 110.557 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.525 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.5 mt -89.74 139.73 27.85 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.86 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.26 156.12 37.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.307 1.338 . . . . 1.63 112.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' A' ' 64' ' ' TYR . 53.1 mt -80.67 -44.32 18.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.282 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.31 -28.97 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 2.31 111.18 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -90.11 -12.91 36.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 4.07 111.521 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -74.94 147.8 40.59 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.354 0.597 . . . . 1.58 111.1 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -120.95 -41.35 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.175 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.7 t -179.43 159.43 0.91 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.808 -0.633 . . . . 2.07 109.949 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.4 p90 -120.7 164.45 16.53 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.11 0.481 . . . . 1.74 110.778 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -148.75 108.68 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 3.6 110.366 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -79.79 148.81 31.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.457 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -119.85 139.7 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 1.7 110.163 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.81 32.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.846 -0.615 . . . . 2.31 110.46 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -63.73 -172.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 3.47 110.359 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.16 31.64 7.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.811 -0.916 . . . . 2.68 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -120.45 -43.28 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.108 0.48 . . . . 5.35 110.55 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.07 150.77 96.18 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.74 -0.664 . . . . 2.1 110.377 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.36 -27.9 2.09 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.855 1.703 . . . . 2.27 112.581 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -135.33 146.83 48.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.791 -0.641 . . . . 3.28 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -83.54 153.15 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.786 -0.643 . . . . 3.31 110.455 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.02 -177.73 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 1.22 110.427 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.6 t -123.56 157.25 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.501 0.667 . . . . 1.14 110.382 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.595 HD13 ' O ' ' A' ' 39' ' ' VAL . 18.9 mm -127.96 131.08 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.093 -0.958 . . . . 1.73 109.281 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -110.44 147.62 33.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.375 0.607 . . . . 1.49 110.96 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 23' ' ' LEU . 20.7 mtmm -123.53 132.01 53.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.285 -0.871 . . . . 2.95 109.902 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -90.15 -167.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.632 -0.713 . . . . 1.89 109.969 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 29.94 2.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.014 0.435 . . . . 3.19 110.641 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.99 20.46 6.43 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.094 -0.503 . . . . 2.68 110.854 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 50.02 5.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.317 0.579 . . . . 2.57 110.533 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -137.66 150.63 47.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 3.49 110.529 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.49 140.67 49.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.72 -0.673 . . . . 2.28 110.306 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' CYS . 36.6 mm -126.41 159.61 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 2.11 110.359 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 49' ' ' ILE . 56.0 m -91.64 143.7 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 1.82 110.051 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.72 36.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.244 0.545 . . . . 1.23 110.695 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -109.57 151.92 42.5 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.582 -0.736 . . . . 2.22 109.972 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.18 6.83 5.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 121.792 1.661 . . . . 1.21 113.547 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -110.35 16.28 21.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.667 -0.413 . . . . 3.39 111.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.0 mptt -100.66 157.26 16.81 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.108 0.48 . . . . 2.31 110.465 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -77.86 -35.4 51.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.834 -0.621 . . . . 3.69 110.655 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.2 p-90 -79.61 -27.1 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 1.33 110.475 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 89.2 t -73.65 -42.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.054 -0.721 . . . . 0.97 109.054 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -62.82 -48.15 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.579 -0.737 . . . . 2.67 109.556 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -65.26 -33.72 76.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 1.87 109.342 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -65.31 -53.7 40.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.513 -0.767 . . . . 1.05 109.963 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.8 ttt -60.5 -42.43 96.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.914 -0.585 . . . . 1.92 110.414 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.99 -40.25 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.323 0.582 . . . . 2.73 109.687 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' CG ' HD22 ' A' ' 20' ' ' LEU . 67.7 t80 -61.47 -49.14 77.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.224 -0.898 . . . . 1.59 110.079 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.0 mt -62.17 -40.37 95.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 1.67 110.292 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -44.82 95.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.842 . . . . 1.95 110.097 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -91.19 16.21 10.31 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.482 -0.781 . . . . 3.11 112.201 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -50.07 -25.32 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.107 -0.497 . . . . 4.18 111.788 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -49.37 146.42 6.52 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 116.456 -0.338 . . . . 2.77 111.077 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.68 128.79 6.15 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.757 1.638 . . . . 4.16 112.892 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 71' ' ' THR . 5.1 t -177.5 63.55 0.19 Allowed Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.694 -0.685 . . . . 5.4 110.341 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -82.09 -69.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.793 1.662 . . . . 7.87 112.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 tttp 60.15 82.09 0.23 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.222 -0.444 . . . . 11.77 110.48 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--O 1.22 -0.408 0 C-N-CA 121.836 1.69 . . . . 11.1 112.642 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.537 -1.425 . . . . 13.64 109.537 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.08 -48.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 121.881 1.72 . . . . 12.69 112.648 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.56 179.76 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.609 . . . . 10.41 110.431 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -130.87 -70.7 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 8.23 110.448 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.2 87.89 14.12 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.876 -0.602 . . . . 6.25 110.348 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.72 170.32 14.29 Favored 'Trans proline' 0 N--CA 1.474 0.344 0 C-N-CA 121.895 1.73 . . . . 5.11 112.466 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -161.09 -47.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.565 . . . . 4.67 110.624 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER 60.96 173.28 0.1 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.0 -0.545 . . . . 3.87 110.275 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.518 ' H ' HG22 ' A' ' 8' ' ' THR . 1.1 m -81.66 179.54 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 2.4 110.321 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 t -99.04 -51.48 3.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.185 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 9' ' ' CYS . 30.1 m-85 62.37 32.38 16.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.279 0.562 . . . . 2.43 110.032 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -168.71 79.04 0.13 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.446 -0.797 . . . . 3.12 109.639 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 52' ' ' ASP . 32.5 mt -68.75 157.57 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.499 -0.773 . . . . 1.94 110.847 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.46 172.86 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.648 -0.706 . . . . 1.66 110.741 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.68 -46.39 1.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.647 -0.706 . . . . 2.95 110.352 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -73.87 128.56 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 4.27 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -61.48 136.51 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 3.18 110.747 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.8 mt -90.0 139.76 27.46 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.563 -0.744 . . . . 1.44 109.742 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -77.03 155.47 33.74 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.357 1.371 . . . . 1.63 112.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.6 mt -80.8 -43.18 20.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.163 -0.926 . . . . 1.43 111.172 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.73 -29.67 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 2.31 111.039 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -94.43 -10.41 32.52 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.046 -0.524 . . . . 4.07 111.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -74.62 140.33 44.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.286 0.565 . . . . 1.58 110.934 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -111.49 -38.35 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.463 -0.789 . . . . 3.03 110.126 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -179.98 173.12 0.99 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.634 -0.712 . . . . 2.07 109.94 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 12.1 p90 -135.82 160.69 37.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.141 0.496 . . . . 1.74 110.732 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -139.95 128.71 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 3.6 110.495 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.3 ttm180 -104.35 143.5 32.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.811 -0.632 . . . . 2.51 110.327 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 40' ' ' ILE . 49.3 mt -113.76 134.43 56.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.507 -0.77 . . . . 1.7 110.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.17 30.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 2.31 110.484 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -73.98 -172.92 1.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 3.47 110.551 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 -24.36 37.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.216 -0.753 . . . . 2.68 111.216 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -69.5 -32.19 70.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.03 0.443 . . . . 5.35 110.64 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.52 142.86 58.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.425 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.62 -30.09 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.688 1.592 . . . . 2.27 112.26 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -131.08 -177.15 4.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 3.28 110.378 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -104.64 159.28 15.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.899 -0.591 . . . . 3.31 110.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 1.22 110.648 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 40' ' ' ILE . 45.9 t -142.41 159.38 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.614 -0.721 . . . . 1.14 110.251 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 49' ' ' ILE . 45.9 mt -136.3 130.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 1.73 109.715 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.689 ' HE2' HG13 ' A' ' 58' ' ' VAL . 50.4 m-85 -108.6 147.98 31.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.452 0.644 . . . . 1.49 111.278 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.23 131.09 55.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.228 -0.896 . . . . 2.95 109.433 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 p -101.66 -167.65 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 1.89 110.261 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 30.12 3.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 3.19 110.747 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.76 20.3 9.34 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.055 -0.52 . . . . 2.68 110.994 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.79 20.69 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.953 0.406 . . . . 2.57 110.727 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -131.2 150.23 52.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.059 -0.519 . . . . 3.49 110.538 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -116.55 152.15 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.682 -0.69 . . . . 2.28 110.245 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.9 mt -134.86 159.58 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.606 . . . . 2.11 110.236 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.0 m -100.05 144.68 28.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.481 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -153.21 146.92 25.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.647 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.1 p30 -95.5 154.99 39.16 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.829 -0.623 . . . . 2.22 110.257 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.36 6.61 5.49 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 121.709 1.606 . . . . 1.21 113.567 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.89 18.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.633 -0.427 . . . . 3.39 111.274 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.38 169.98 8.73 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.065 0.46 . . . . 2.31 110.398 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -84.97 -47.56 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 3.69 110.744 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -74.36 -27.51 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.33 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.711 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.6 t -74.53 -40.73 48.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.179 -0.675 . . . . 0.97 109.179 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.51 -48.04 79.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 2.67 109.569 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -35.18 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.437 -0.801 . . . . 1.87 109.271 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.98 -52.5 59.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.413 -0.812 . . . . 1.05 109.979 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 29.5 mtp -61.44 -44.44 97.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 1.92 110.366 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -64.91 -37.38 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.337 0.589 . . . . 2.73 109.556 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' CD2' HD22 ' A' ' 20' ' ' LEU . 55.9 t80 -63.8 -53.71 46.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.277 -0.874 . . . . 1.59 109.546 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 65' ' ' LEU . 75.4 mt -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 1.67 110.033 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.63 -37.34 86.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 1.95 109.991 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -90.58 13.72 15.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.631 -0.713 . . . . 3.11 111.535 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -59.56 -30.09 68.38 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.923 0.392 . . . . 4.18 110.851 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -88.24 112.64 50.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.046 -0.524 . . . . 2.77 110.457 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.03 -28.69 1.48 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 121.611 1.541 . . . . 4.16 112.455 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -72.66 147.71 89.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.681 -0.691 . . . . 5.4 110.402 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.85 173.73 10.9 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.755 1.637 . . . . 7.87 112.634 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -115.13 85.94 13.2 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.902 -0.59 . . . . 11.77 110.497 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 C--O 1.22 -0.413 0 C-N-CA 121.885 1.723 . . . . 11.1 112.559 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.537 -1.425 . . . . 13.64 109.537 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.13 104.02 1.35 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.859 1.706 . . . . 12.69 112.571 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.98 -65.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 10.41 110.397 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.5 p -161.4 84.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.82 -0.627 . . . . 8.23 110.352 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 p -97.13 139.67 21.63 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.898 -0.592 . . . . 6.25 110.184 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.67 -168.6 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 121.692 1.594 . . . . 5.11 112.628 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -139.03 -52.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 4.67 110.427 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 m -154.54 -64.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 3.87 110.487 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.3 m -100.41 -172.66 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.699 . . . . 2.4 110.174 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.69 118.18 27.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 2.06 110.407 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -109.32 -32.59 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.735 -0.666 . . . . 2.43 110.466 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.48 86.67 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 3.12 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 52' ' ' ASP . 17.7 mt -66.04 140.62 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 1.94 110.391 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 142.71 56.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.66 110.48 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -103.83 -36.25 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 2.95 110.318 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.98 147.11 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 4.27 110.248 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.5 mttt -77.02 129.18 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 3.18 110.54 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.601 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.88 139.92 27.66 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.66 -0.7 . . . . 1.44 109.91 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.5 156.35 32.27 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.38 1.387 . . . . 1.63 112.918 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.9 mt -80.71 -41.19 24.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.162 -0.926 . . . . 1.43 111.202 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 2.31 111.107 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -91.29 -11.72 37.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 4.07 111.591 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.6 mt -75.17 146.95 40.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.469 0.652 . . . . 1.58 111.049 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -119.03 -40.82 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.252 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -179.89 160.54 0.9 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.763 -0.653 . . . . 2.07 109.915 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 62' ' ' MET . 12.4 p90 -124.58 157.55 35.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.146 0.498 . . . . 1.74 110.814 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -134.15 100.52 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 3.6 110.328 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -64.97 147.09 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.835 -0.621 . . . . 2.51 110.486 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 38' ' ' ALA . 1.4 mt -104.63 -159.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.875 -0.787 . . . . 1.7 108.875 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.507 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 71.93 31.23 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.092 0.473 . . . . 2.31 110.083 -179.447 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t -69.53 -32.99 72.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.771 -0.649 . . . . 3.47 110.354 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.3 -31.02 1.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 2.68 110.879 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.87 48.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 5.35 110.52 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.75 151.08 82.26 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.952 -0.567 . . . . 2.1 110.475 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.69 -38.73 0.16 Allowed 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 121.905 1.736 . . . . 2.27 112.672 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -107.33 171.93 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.717 -0.674 . . . . 3.28 110.54 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -110.03 144.09 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.435 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 29' ' ' ILE . . . -178.11 -177.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.958 -0.565 . . . . 1.22 110.547 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 47.0 t -129.14 158.97 41.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.806 -0.634 . . . . 1.14 110.135 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.5 ' N ' HG12 ' A' ' 39' ' ' VAL . 33.1 mt -127.48 137.56 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.539 -0.755 . . . . 1.73 109.627 179.353 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.658 ' HE2' HG13 ' A' ' 58' ' ' VAL . 35.8 m-85 -117.17 148.4 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.403 0.62 . . . . 1.49 111.27 -179.251 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 23' ' ' LEU . 21.3 ttpt -122.37 139.4 53.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.112 -0.949 . . . . 2.95 109.558 179.179 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.5 p -108.52 -172.85 2.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.485 -0.779 . . . . 1.89 110.357 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -81.33 -1.63 46.07 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.008 -0.542 . . . . 3.19 111.695 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.86 19.82 9.67 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.704 -0.398 . . . . 2.68 111.234 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.26 30.76 19.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.99 0.424 . . . . 2.57 110.869 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.35 160.7 23.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 3.49 110.311 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.595 ' C ' HD12 ' A' ' 49' ' ' ILE . 43.6 m-20 -124.87 154.72 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.66 -0.7 . . . . 2.28 110.517 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.3 mp -141.19 159.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.441 0.639 . . . . 2.11 110.119 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 81.6 m -94.56 140.04 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.248 -0.887 . . . . 1.82 110.451 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.97 145.54 32.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 1.23 110.759 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.77 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -93.76 152.41 40.68 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.725 -0.671 . . . . 2.22 110.187 179.807 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 6.92 5.37 Favored 'Trans proline' 0 N--CA 1.476 0.452 0 C-N-CA 121.754 1.636 . . . . 1.21 113.61 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -110.23 16.81 21.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.602 -0.439 . . . . 3.39 111.413 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -100.63 161.25 13.72 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.112 0.482 . . . . 2.31 110.457 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -79.09 -43.95 23.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 3.69 110.75 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.601 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -73.72 -28.23 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 1.33 110.396 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 52' ' ' ASP . 73.0 t -73.79 -40.55 53.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.162 -0.681 . . . . 0.97 109.162 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.2 -47.6 79.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.604 -0.725 . . . . 2.67 109.563 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -66.77 -34.47 77.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 1.87 109.272 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.5 m -64.72 -52.5 56.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.406 -0.816 . . . . 1.05 109.915 179.486 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 2.6 ttm -61.86 -44.52 96.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.767 -0.651 . . . . 1.92 110.44 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -65.64 -36.54 83.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.373 0.606 . . . . 2.73 109.708 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 20' ' ' LEU . 47.0 t80 -63.59 -52.5 60.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.275 -0.875 . . . . 1.59 109.792 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 65' ' ' LEU . 71.9 mt -66.26 -40.91 90.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.735 -0.666 . . . . 1.67 110.129 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.55 -32.82 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.297 -0.865 . . . . 1.95 110.24 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.81 -31.82 72.7 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 3.11 110.451 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -60.44 -32.92 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 4.18 110.604 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -74.91 161.29 78.22 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.761 -0.654 . . . . 2.77 110.435 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.96 86.48 1.55 Allowed 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.849 1.699 . . . . 4.16 112.572 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 71' ' ' THR . 3.8 t -153.78 89.42 3.46 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.792 -0.64 . . . . 5.4 110.47 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.15 61.87 8.31 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 121.845 1.697 . . . . 7.87 112.655 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt 41.14 62.28 6.83 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 115.55 -0.75 . . . . 11.77 112.04 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.413 0 C-N-CA 121.839 1.693 . . . . 11.1 112.545 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.543 -1.423 . . . . 13.64 109.543 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.17 -48.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.906 1.737 . . . . 12.69 112.59 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.53 88.82 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.868 -0.606 . . . . 10.41 110.469 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t 60.66 165.11 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.784 -0.644 . . . . 8.23 110.545 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.427 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.2 p -106.97 140.51 21.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.798 -0.637 . . . . 6.25 110.067 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.7 Cg_endo -82.73 -169.18 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.687 1.591 . . . . 5.11 112.611 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.8 t -134.23 174.52 10.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.733 -0.667 . . . . 4.67 110.348 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 t -106.55 -32.18 8.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 3.87 110.485 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.58 -172.4 2.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 2.4 110.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -166.28 159.98 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 2.06 110.56 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.01 -47.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.582 -0.735 . . . . 2.43 110.299 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.45 70.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 3.12 110.079 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD13 ' CG ' ' A' ' 52' ' ' ASP . 8.4 mt -60.15 140.77 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.745 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.66 58.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.66 110.333 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -92.98 -45.05 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 2.95 110.27 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.04 166.06 16.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.605 -0.725 . . . . 4.27 110.094 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -97.38 137.4 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 3.18 110.51 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.3 mt -89.72 139.84 27.91 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.685 -0.689 . . . . 1.44 109.823 179.849 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.25 155.49 32.91 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 121.426 1.418 . . . . 1.63 113.122 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.5 mt -80.73 -43.62 19.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.041 -0.981 . . . . 1.43 111.113 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -57.55 -29.8 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.145 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -95.14 -9.64 32.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.586 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.0 147.7 44.9 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.515 0.674 . . . . 1.58 111.108 -179.43 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.33 -41.37 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.104 -0.953 . . . . 3.03 110.196 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -179.29 161.59 1.11 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.852 -0.613 . . . . 2.07 109.818 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -127.2 156.57 41.63 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.186 0.517 . . . . 1.74 110.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.13 115.61 14.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 3.6 110.378 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' HG22 ' A' ' 39' ' ' VAL . 13.7 ttt-85 -101.51 149.6 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.461 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.32 142.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 1.7 110.239 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t -158.83 29.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 2.31 110.597 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -86.67 -171.49 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 3.47 110.4 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.53 33.55 6.12 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.735 -0.946 . . . . 2.68 110.735 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -112.11 -37.35 5.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.107 0.48 . . . . 5.35 110.492 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.4 m -91.6 153.87 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 2.1 110.5 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.75 -27.46 2.59 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 121.89 1.727 . . . . 2.27 112.553 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -136.63 139.42 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.633 . . . . 3.28 110.441 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -74.76 118.15 17.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 3.31 110.396 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.23 -178.4 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 1.22 110.533 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.8 t -132.91 158.97 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.661 -0.7 . . . . 1.14 110.246 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 49' ' ' ILE . 43.4 mt -134.53 130.5 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.465 -0.789 . . . . 1.73 109.562 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -109.72 148.18 31.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 1.49 110.988 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 23' ' ' LEU . 15.7 ttmm -126.33 140.61 52.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.368 -0.833 . . . . 2.95 109.91 179.276 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -100.93 -170.13 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.416 -0.811 . . . . 1.89 110.132 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -3.76 57.65 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.132 -0.485 . . . . 3.19 111.426 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.23 20.97 8.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.732 -0.387 . . . . 2.68 111.252 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.56 32.02 21.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.046 0.451 . . . . 2.57 110.933 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -115.1 146.05 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 3.49 110.324 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.639 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.5 m-20 -116.9 145.69 43.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.976 -0.556 . . . . 2.28 110.491 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 48' ' ' ASP . 41.6 mm -135.65 156.4 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.61 -0.723 . . . . 2.11 110.058 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' HG22 ' A' ' 49' ' ' ILE . 23.5 m -90.26 151.37 21.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.881 -0.6 . . . . 1.82 110.38 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.77 148.91 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.817 -0.629 . . . . 1.23 110.778 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.674 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.4 t0 -96.29 147.23 32.64 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.637 -0.71 . . . . 2.22 109.86 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -81.12 6.81 5.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.628 1.552 . . . . 1.21 113.613 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -110.23 18.95 19.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.809 -0.357 . . . . 3.39 111.023 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -100.67 170.0 8.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.08 0.467 . . . . 2.31 110.381 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.23 -44.43 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 3.69 110.522 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.486 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.2 p-90 -73.4 -30.09 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.278 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.8 t -72.66 -40.18 61.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 0.97 109.324 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.3 -40.9 86.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 2.67 109.621 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -33.51 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 1.87 109.182 178.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.9 m -68.2 -52.44 34.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.368 -0.833 . . . . 1.05 110.524 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -34.66 78.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 1.92 110.291 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -71.76 -36.97 70.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.401 0.62 . . . . 2.73 109.566 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 20' ' ' LEU . 51.1 t80 -64.98 -51.9 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.247 -0.888 . . . . 1.59 109.595 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 65' ' ' LEU . 63.3 mt -64.44 -40.65 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.657 -0.702 . . . . 1.67 110.122 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.45 -34.28 73.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 1.95 109.915 179.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -90.53 14.6 12.69 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.491 -0.777 . . . . 3.11 111.485 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -29.66 53.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.981 0.42 . . . . 4.18 111.08 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.73 164.6 9.39 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.017 -0.538 . . . . 2.77 110.386 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.72 130.81 6.94 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 121.822 1.681 . . . . 4.16 112.588 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -157.15 147.95 16.36 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.827 -0.624 . . . . 5.4 110.368 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -82.57 132.86 6.9 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.749 1.633 . . . . 7.87 112.57 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 63.46 146.79 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.852 -0.613 . . . . 11.77 110.323 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.475 0.423 0 C-N-CA 121.761 1.641 . . . . 11.1 112.53 -179.916 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.524 -1.43 . . . . 13.64 109.524 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.11 -41.37 0.12 Allowed 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 121.886 1.724 . . . . 12.69 112.635 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.82 95.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.835 -0.62 . . . . 10.41 110.507 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -158.24 74.27 0.7 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.791 -0.641 . . . . 8.23 110.308 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.469 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.6 t -87.43 -45.2 0.51 Allowed Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 115.708 -0.678 . . . . 6.25 111.788 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.4 Cg_endo -79.28 146.83 20.04 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.247 1.298 . . . . 5.11 112.793 -179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.42 134.82 10.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.809 -0.632 . . . . 4.67 110.349 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.669 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.3 m 69.52 -67.32 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.753 -0.658 . . . . 3.87 110.614 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.45 -174.74 2.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 2.4 110.144 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.91 163.54 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 2.06 110.694 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -138.24 -47.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 2.43 110.286 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -80.04 78.3 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.719 -0.673 . . . . 3.12 110.286 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 51' ' ' ALA . 6.9 mt -60.74 143.35 54.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.662 -0.699 . . . . 1.94 110.577 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 139.31 57.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.636 . . . . 1.66 110.685 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.6 -33.71 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 2.95 110.241 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -81.18 129.42 34.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.761 -0.654 . . . . 4.27 110.294 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -60.51 135.44 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 3.18 110.713 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.5 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 66.0 mt -90.0 140.24 27.54 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.752 -0.658 . . . . 1.44 109.901 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -78.33 156.65 29.26 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.464 1.442 . . . . 1.63 113.06 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.6 mt -80.86 -43.36 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.287 -0.87 . . . . 1.43 111.201 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -57.16 -29.91 64.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 2.31 111.143 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -93.56 -9.37 38.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 4.07 111.606 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.8 mt -74.69 148.48 40.52 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.494 0.664 . . . . 1.58 111.3 -179.426 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -122.69 -41.78 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.094 -0.957 . . . . 3.03 110.226 179.45 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -179.66 150.72 0.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.857 -0.611 . . . . 2.07 109.991 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 8.6 p90 -115.97 172.1 7.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.11 0.481 . . . . 1.74 110.655 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -154.77 142.82 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 3.6 110.485 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 26.4 ttp180 -115.89 141.67 47.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 2.51 110.403 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 56.2 mt -120.86 144.36 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.48 -0.782 . . . . 1.7 110.302 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -169.55 34.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.345 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -172.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 3.47 110.523 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -29.49 8.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.995 -0.842 . . . . 2.68 110.995 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.85 71.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.47 . . . . 5.35 110.415 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.669 ' SG ' HG22 ' A' ' 8' ' ' THR . 1.2 m -70.9 151.77 95.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.787 -0.642 . . . . 2.1 110.3 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' O ' ' NE2' ' A' ' 36' ' ' GLN . 41.1 Cg_endo -82.43 -36.96 0.24 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.926 1.751 . . . . 2.27 112.538 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 35' ' ' PRO . 33.0 mm-40 -134.12 175.11 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.608 -0.724 . . . . 3.28 110.246 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -119.77 152.66 36.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 3.31 110.579 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.78 -174.47 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.786 -0.643 . . . . 1.22 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 42.3 t -119.83 158.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.366 0.603 . . . . 1.14 110.301 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.2 mp -135.76 129.83 48.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.285 -0.871 . . . . 1.73 109.637 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' HE2' HG13 ' A' ' 58' ' ' VAL . 57.3 m-85 -106.74 146.78 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 1.49 110.981 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -122.01 129.09 52.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 2.95 109.869 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -89.8 -173.41 3.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 1.89 110.029 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -97.24 30.92 2.62 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.322 -0.399 . . . . 3.19 110.759 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.56 23.06 6.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 2.68 110.685 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 42.13 11.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.229 0.537 . . . . 2.57 110.338 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -135.57 151.31 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 3.49 110.543 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -126.18 153.16 45.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.801 -0.636 . . . . 2.28 110.132 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.7 mt -139.36 159.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 2.11 110.349 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.1 m -93.87 148.35 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 1.82 110.142 179.818 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.626 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -153.4 153.37 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.233 0.539 . . . . 1.23 111.023 -179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.644 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -99.2 145.72 30.49 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.504 -0.771 . . . . 2.22 109.805 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -79.76 3.41 7.58 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 121.539 1.493 . . . . 1.21 113.521 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -110.38 23.07 14.74 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.632 -0.427 . . . . 3.39 111.049 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.6 mmtp -100.5 170.12 8.61 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.103 0.478 . . . . 2.31 110.35 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -29.77 20.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.947 -0.569 . . . . 3.69 110.692 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.5 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -88.17 -28.9 20.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 120.508 -0.477 . . . . 1.33 110.094 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.0 t -72.32 -45.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.041 -0.527 . . . . 0.97 109.61 179.153 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 2.67 109.701 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -34.09 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.616 -0.72 . . . . 1.87 109.064 178.428 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -66.99 -55.34 14.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.398 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -33.31 74.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.097 -0.501 . . . . 1.92 110.176 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -69.35 -39.39 78.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.424 0.63 . . . . 2.73 109.582 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.866 ' CD2' HD22 ' A' ' 20' ' ' LEU . 39.6 t80 -63.46 -53.83 45.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.126 -0.943 . . . . 1.59 109.537 179.288 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 76.7 mt -62.61 -40.33 96.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.787 . . . . 1.67 110.151 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.43 -35.37 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.34 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.75 -51.36 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.815 -0.63 . . . . 3.11 110.515 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -61.66 -37.71 85.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.625 -0.716 . . . . 4.18 110.553 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -90.04 150.95 44.46 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.706 -0.679 . . . . 2.77 110.501 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.84 131.6 6.17 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.812 1.675 . . . . 4.16 112.488 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.587 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 10.9 t -77.69 -27.69 0.58 Allowed Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.411 0.893 . . . . 5.4 113.411 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 71' ' ' THR . 41.2 Cg_endo -81.84 -171.53 1.22 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 120.694 1.284 . . . . 7.87 112.495 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 60.24 88.87 0.11 Allowed Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.787 -0.642 . . . . 11.77 110.504 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.408 0 C-N-CA 121.883 1.722 . . . . 11.1 112.582 179.96 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.551 -1.419 . . . . 13.64 109.551 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.8 56.83 6.05 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 121.768 1.645 . . . . 12.69 112.57 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.75 173.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 10.41 110.58 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -69.57 -177.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.837 -0.62 . . . . 8.23 110.427 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.84 139.76 85.93 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.865 -0.607 . . . . 6.25 110.007 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.02 85.66 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.611 1.54 . . . . 5.11 112.648 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -113.93 32.86 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.76 -0.655 . . . . 4.67 110.401 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -154.71 170.01 22.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.751 -0.659 . . . . 3.87 110.352 -179.916 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' H ' HG22 ' A' ' 8' ' ' THR . 11.2 m -106.84 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.897 -0.592 . . . . 2.4 109.768 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -133.94 152.1 51.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.238 0.542 . . . . 2.06 110.735 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 35' ' ' PRO . 47.1 m-85 -129.76 -46.77 1.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.672 -0.695 . . . . 2.43 110.364 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -73.89 90.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 3.12 110.55 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.533 HD13 ' OD1' ' A' ' 52' ' ' ASP . 16.6 mt -82.44 143.06 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.406 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -68.11 155.3 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.867 -0.606 . . . . 1.66 110.632 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.05 -40.73 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.746 -0.661 . . . . 2.95 110.269 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -64.24 165.2 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.649 -0.705 . . . . 4.27 110.4 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.6 mtmt -100.09 123.68 44.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 3.18 110.314 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.5 mt -89.95 140.11 27.6 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.766 -0.652 . . . . 1.44 110.03 -179.833 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.3 Cg_endo -79.99 159.47 24.04 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.611 1.541 . . . . 1.63 112.88 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 64' ' ' TYR . 43.3 mt -80.8 -43.49 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.389 -0.823 . . . . 1.43 111.106 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.47 -30.06 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 2.31 111.148 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -90.35 -13.36 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 4.07 111.366 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -69.58 142.13 53.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.283 0.563 . . . . 1.58 111.062 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.36 -0.836 . . . . 3.03 109.893 179.37 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 p -169.79 -178.79 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.658 . . . . 2.07 109.77 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.74 146.31 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 1.74 110.928 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -123.31 118.58 27.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.358 -0.837 . . . . 3.6 110.263 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -86.64 148.67 25.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 2.51 110.847 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 40' ' ' ILE . 2.6 mm -93.31 -153.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.564 -0.902 . . . . 1.7 108.564 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 37' ' ' LYS . 1.7 m 78.52 43.69 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.605 0.717 . . . . 2.31 109.666 -179.239 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -59.77 -160.16 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.993 -1.003 . . . . 3.47 110.413 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.88 -33.67 3.65 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.517 -0.311 . . . . 2.68 112.495 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.58 67.27 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.131 -0.628 . . . . 5.35 111.6 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.58 157.31 82.44 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.439 -0.578 . . . . 2.1 109.439 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 40.4 Cg_endo -81.61 -32.2 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 121.691 1.594 . . . . 2.27 112.559 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -140.2 120.33 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.8 -0.636 . . . . 3.28 110.556 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' HG23 ' A' ' 30' ' ' THR . 36.3 mtmt -63.21 154.81 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 3.31 110.04 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 -171.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.136 0.493 . . . . 1.22 110.85 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 40' ' ' ILE . 91.8 t -145.3 160.32 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 1.14 109.755 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.809 HG13 HD11 ' A' ' 29' ' ' ILE . 45.3 mt -131.33 135.86 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.73 109.771 179.237 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' A' ' 58' ' ' VAL . 45.9 m-85 -113.22 156.92 22.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.328 0.585 . . . . 1.49 110.851 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 23' ' ' LEU . 33.7 mttt -136.27 130.86 33.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.362 -0.836 . . . . 2.95 109.676 179.426 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -93.53 -163.44 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.7 -0.682 . . . . 1.89 109.863 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 28.55 2.81 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.893 0.378 . . . . 3.19 111.014 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.29 19.44 9.8 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.302 -0.408 . . . . 2.68 110.957 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.9 33.94 21.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.08 0.467 . . . . 2.57 110.569 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -122.94 142.68 50.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 3.49 110.597 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.2 m-20 -115.01 140.85 48.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.815 -0.63 . . . . 2.28 110.416 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 36.9 mm -135.01 135.51 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 2.11 110.21 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -73.78 155.54 38.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.141 0.496 . . . . 1.82 110.452 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -152.11 147.99 27.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.747 -0.661 . . . . 1.23 110.856 -179.37 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.661 ' O ' HG11 ' A' ' 58' ' ' VAL . 4.0 t0 -89.89 145.72 33.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.684 -0.689 . . . . 2.22 109.441 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.63 4.58 6.55 Favored 'Trans proline' 0 N--CA 1.476 0.461 0 C-N-CA 121.529 1.486 . . . . 1.21 113.72 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -110.19 21.46 16.72 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.703 -0.399 . . . . 3.39 110.907 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.43 165.06 11.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.046 0.45 . . . . 2.31 110.347 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -80.54 -44.7 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 3.69 110.562 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.1 p-90 -75.8 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 1.33 110.256 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG11 ' O ' ' A' ' 52' ' ' ASP . 46.9 t -74.76 -40.49 46.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.725 -0.472 . . . . 0.97 109.725 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 2.67 109.721 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.7 -33.23 64.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.544 -0.753 . . . . 1.87 109.321 178.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.6 m -69.07 -49.35 58.11 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.467 -0.788 . . . . 1.05 110.628 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -68.02 -36.48 80.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 1.92 110.087 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -71.06 -36.09 72.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.374 0.607 . . . . 2.73 109.603 179.273 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 20' ' ' LEU . 31.6 t80 -63.61 -51.29 65.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.171 -0.922 . . . . 1.59 109.788 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 26' ' ' TYR . 59.2 mt -66.38 -42.13 88.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.67 110.102 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.15 -32.01 72.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.35 -0.841 . . . . 1.95 110.257 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.42 -48.66 78.7 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 3.11 110.383 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -78.87 -64.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.604 -0.725 . . . . 4.18 110.424 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -69.88 165.6 40.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.643 -0.708 . . . . 2.77 110.468 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.31 177.18 7.35 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.878 1.719 . . . . 4.16 112.673 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 m -121.14 90.6 47.43 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.732 -0.667 . . . . 5.4 110.427 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.27 -178.32 4.23 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 121.724 1.616 . . . . 7.87 112.635 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.0 mttt 61.84 154.52 0.11 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.773 -0.649 . . . . 11.77 110.459 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.22 -0.377 0 C-N-CA 121.854 1.703 . . . . 11.1 112.622 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.575 -1.41 . . . . 13.64 109.575 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.09 140.52 11.24 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.798 1.665 . . . . 12.69 112.609 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.0 148.27 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.631 . . . . 10.41 110.444 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -120.76 121.04 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.844 -0.616 . . . . 8.23 110.422 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.69 139.66 21.25 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.799 -0.637 . . . . 6.25 110.196 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.77 175.5 8.64 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.716 1.611 . . . . 5.11 112.598 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.8 m -82.84 -40.14 20.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 4.67 110.483 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -177.53 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.801 -0.636 . . . . 3.87 110.283 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.77 -172.92 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 2.4 110.083 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.31 104.68 8.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.969 -0.559 . . . . 2.06 110.318 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.05 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 2.43 110.105 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 60.14 83.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 3.12 110.419 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 52' ' ' ASP . 9.1 mt -59.43 140.2 56.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.701 -0.681 . . . . 1.94 110.662 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.74 132.78 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.633 -0.712 . . . . 1.66 110.431 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 2.95 110.219 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -67.55 169.37 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 4.27 110.21 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -99.81 142.84 30.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.071 -0.714 . . . . 3.18 109.071 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.646 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 64.9 mt -106.63 139.75 20.66 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.748 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.6 155.5 35.66 Favored 'Trans proline' 0 N--CA 1.477 0.503 0 C-N-CA 121.382 1.388 . . . . 1.63 113.028 -179.879 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 64' ' ' TYR . 54.5 mt -80.86 -49.49 10.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.114 -0.948 . . . . 1.43 111.342 -179.212 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -55.55 -28.36 54.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 2.31 111.504 -179.162 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -89.54 -14.81 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 4.07 111.411 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -71.48 145.74 49.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.296 0.569 . . . . 1.58 111.105 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -117.28 -40.17 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.37 -0.832 . . . . 3.03 110.255 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -178.64 160.42 1.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.871 -0.604 . . . . 2.07 109.929 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 25.6 p90 -123.97 155.78 37.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.153 0.502 . . . . 1.74 110.914 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 40' ' ' ILE . 34.9 mmt-85 -135.37 124.88 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 3.6 110.244 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -105.73 149.47 26.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.557 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.1 mt -120.28 138.34 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.672 . . . . 1.7 110.275 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.76 30.17 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 2.31 110.519 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -88.21 -173.33 4.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.014 -0.539 . . . . 3.47 110.467 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.68 30.61 10.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.793 -0.923 . . . . 2.68 110.793 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -111.74 -35.73 5.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.061 0.458 . . . . 5.35 110.437 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -86.57 157.24 55.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 2.1 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.38 -26.98 2.45 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 121.848 1.699 . . . . 2.27 112.632 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -145.7 132.39 19.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 3.28 110.467 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -67.33 157.8 33.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 3.31 110.366 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.26 -178.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 1.22 110.483 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 40' ' ' ILE . 44.2 t -123.85 158.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.238 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.6 mp -133.38 130.27 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.525 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.671 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -109.41 148.11 31.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 1.49 111.044 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 23' ' ' LEU . 14.4 tttp -128.26 139.03 52.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.327 -0.851 . . . . 2.95 109.755 179.445 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -99.02 -166.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.341 -0.845 . . . . 1.89 110.034 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -97.31 29.0 3.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 3.19 110.845 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mt -126.29 21.6 7.28 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.186 -0.461 . . . . 2.68 110.905 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.51 42.27 11.54 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.239 0.543 . . . . 2.57 110.483 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -129.78 155.07 46.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.806 -0.634 . . . . 3.49 110.404 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.719 ' O ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-20 -130.52 147.21 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 2.28 110.383 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.2 mm -136.42 156.61 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 2.11 110.308 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 49' ' ' ILE . 71.9 m -93.59 142.2 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.612 . . . . 1.82 110.316 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -148.77 151.31 34.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.837 -0.62 . . . . 1.23 110.799 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.664 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.7 t0 -97.63 147.89 33.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.554 -0.748 . . . . 2.22 109.864 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -80.19 4.96 6.36 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 121.609 1.539 . . . . 1.21 113.538 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -109.75 22.01 16.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.732 -0.387 . . . . 3.39 110.815 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -100.51 169.61 8.95 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.079 0.466 . . . . 2.31 110.286 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -40.83 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 3.69 110.755 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.646 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.9 p-90 -80.98 -27.57 35.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 1.33 110.527 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.671 HG13 ' CE2' ' A' ' 41' ' ' PHE . 65.0 t -73.89 -42.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.191 -0.67 . . . . 0.97 109.191 178.791 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -62.22 -48.41 80.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.561 -0.745 . . . . 2.67 109.604 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 1.87 109.284 178.663 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -63.92 -52.49 59.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.331 -0.85 . . . . 1.05 110.093 179.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.4 ttm -60.11 -43.16 95.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.85 -0.614 . . . . 1.92 110.467 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -65.66 -40.25 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.358 0.599 . . . . 2.73 109.751 179.489 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CD2' HD22 ' A' ' 20' ' ' LEU . 66.7 t80 -63.92 -51.13 65.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.276 -0.875 . . . . 1.59 109.572 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' HE3' ' A' ' 68' ' ' LYS . 72.0 mt -64.52 -40.8 96.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 1.67 110.222 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.96 -35.35 78.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 1.95 110.247 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -82.72 -29.16 30.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.758 -0.656 . . . . 3.11 110.713 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HE3' HD23 ' A' ' 65' ' ' LEU . 5.3 ttmt -58.6 -19.76 41.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.923 -0.58 . . . . 4.18 111.498 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.9 p -51.28 148.49 8.49 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 121.212 -0.195 . . . . 2.77 111.184 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.56 -165.91 0.36 Allowed 'Trans proline' 0 N--CA 1.476 0.441 0 C-N-CA 121.938 1.759 . . . . 4.16 112.812 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.7 p 52.85 72.47 1.16 Allowed Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.592 -0.731 . . . . 5.4 111.028 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -83.25 117.98 2.56 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.907 1.738 . . . . 7.87 112.474 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 2.4 mtpp 176.09 -55.23 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.954 -0.566 . . . . 11.77 110.433 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.8 Cg_endo . . . . . 0 C--N 1.349 0.561 0 C-N-CA 121.522 1.481 . . . . 11.1 112.589 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.509 -1.436 . . . . 13.64 109.509 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.28 104.38 1.36 Allowed 'Trans proline' 0 N--CA 1.475 0.389 0 C-N-CA 121.937 1.758 . . . . 12.69 112.547 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.31 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.581 . . . . 10.41 110.494 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -135.77 34.94 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.941 -0.572 . . . . 8.23 110.431 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.0 150.5 78.14 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.826 -0.625 . . . . 6.25 110.552 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' C ' HG22 ' A' ' 7' ' ' THR . 40.4 Cg_endo -82.97 178.99 5.53 Favored 'Trans proline' 0 N--CA 1.475 0.403 0 C-N-CA 121.854 1.702 . . . . 5.11 112.563 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 6' ' ' PRO . 4.9 t 41.19 59.79 2.22 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.65 -0.704 . . . . 4.67 112.032 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -61.48 122.41 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 3.87 110.444 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -126.86 -172.33 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.584 . . . . 2.4 110.192 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.85 105.11 13.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 2.06 110.364 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -107.12 32.9 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.621 . . . . 2.43 110.388 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -161.34 81.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 3.12 110.525 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 52' ' ' ASP . 29.2 mt -61.35 140.09 58.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.826 -0.624 . . . . 1.94 110.409 179.805 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 127.89 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 1.66 110.497 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -91.33 -33.47 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 2.95 110.183 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -66.41 162.0 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.093 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -95.3 136.89 35.09 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.127 -0.694 . . . . 3.18 109.127 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.9 mt -104.83 139.92 20.57 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.549 -0.75 . . . . 1.44 109.765 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.59 154.03 30.75 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.332 1.355 . . . . 1.63 113.185 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' LEU . 76.3 mt -80.82 -43.12 20.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.077 -0.965 . . . . 1.43 111.126 -179.525 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -57.54 -29.92 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.651 . . . . 2.31 111.207 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -90.31 -13.57 34.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 4.07 111.348 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -68.53 146.34 53.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.343 0.592 . . . . 1.58 111.142 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.5 -41.64 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.266 -0.879 . . . . 3.03 110.158 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t 179.71 149.5 0.31 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.794 -0.639 . . . . 2.07 109.999 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -111.88 155.63 23.33 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.547 -0.461 . . . . 1.74 110.704 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -128.04 101.35 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 3.6 110.468 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 39' ' ' VAL . 26.5 ttm180 -77.65 146.88 35.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 2.51 110.387 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 40' ' ' ILE . 43.6 mt -116.11 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.623 -0.717 . . . . 1.7 110.332 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t 178.81 39.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 2.31 110.376 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -80.95 -56.15 4.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 3.47 110.622 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.75 -24.81 1.48 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.037 -0.825 . . . . 2.68 111.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -69.46 -28.85 66.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.921 0.391 . . . . 5.35 110.703 -179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.81 157.9 71.24 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.229 -0.441 . . . . 2.1 110.293 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -81.66 -25.64 3.56 Favored 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 121.876 1.718 . . . . 2.27 112.758 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -143.52 151.08 39.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 3.28 110.471 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -82.79 148.38 27.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 3.31 110.41 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.81 -177.32 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.42 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.4 t -128.16 158.49 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 1.14 110.516 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 29' ' ' ILE . 50.5 mt -131.28 139.06 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.267 -0.879 . . . . 1.73 109.51 179.172 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.599 ' CE2' HG13 ' A' ' 58' ' ' VAL . 29.5 m-85 -118.27 146.95 43.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.335 0.588 . . . . 1.49 111.029 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.747 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.6 ttmt -127.9 140.0 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 2.95 109.819 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 p -104.01 -166.67 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.312 -0.858 . . . . 1.89 109.96 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -97.79 29.11 3.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.964 0.412 . . . . 3.19 110.605 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.69 20.51 10.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.122 -0.49 . . . . 2.68 110.924 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.87 42.03 13.65 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.221 0.534 . . . . 2.57 110.622 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -135.96 160.59 38.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 3.49 110.358 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -134.77 154.62 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.492 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.9 mt -142.09 159.57 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 2.11 110.308 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.2 m -95.9 139.44 32.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 1.82 110.324 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -138.45 145.72 41.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 1.23 110.623 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 11.5 p-10 -90.37 150.93 43.82 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.755 -0.657 . . . . 2.22 110.236 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.56 6.49 5.6 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 121.781 1.654 . . . . 1.21 113.571 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -110.21 19.89 18.42 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.566 -0.454 . . . . 3.39 111.217 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.6 mmtm -100.6 162.38 12.97 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.079 0.466 . . . . 2.31 110.4 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -82.63 -37.25 25.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.851 -0.613 . . . . 3.69 110.55 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.522 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -81.23 -30.37 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 1.33 110.247 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG11 ' O ' ' A' ' 52' ' ' ASP . 93.9 t -70.59 -45.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 109.327 -0.62 . . . . 0.97 109.327 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.13 -46.84 88.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 2.67 109.736 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.48 -33.08 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.428 -0.806 . . . . 1.87 109.205 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.7 m -65.06 -54.64 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.403 -0.817 . . . . 1.05 110.457 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE2' HG12 ' A' ' 58' ' ' VAL . 20.2 ptp -61.45 -38.25 86.5 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.526 -0.47 . . . . 1.92 110.599 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -70.77 -37.84 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.365 0.602 . . . . 2.73 109.878 179.52 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.7 t80 -66.58 -49.05 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 1.59 109.661 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 65' ' ' LEU . 67.5 mt -65.75 -40.58 92.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 1.67 110.145 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.35 -35.89 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.328 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -69.37 -43.9 72.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 3.11 110.404 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.02 19.69 5.48 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.666 -0.697 . . . . 4.18 111.643 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.48 151.17 47.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 120.821 -0.352 . . . . 2.77 110.492 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -82.39 -166.54 0.4 Allowed 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 121.906 1.737 . . . . 4.16 112.569 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 p -107.53 149.96 39.51 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.853 -0.612 . . . . 5.4 110.407 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.23 115.92 2.66 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.857 1.705 . . . . 7.87 112.652 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.78 152.04 1.04 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.601 . . . . 11.77 110.438 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.877 1.718 . . . . 11.1 112.546 -179.958 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.577 -1.409 . . . . 13.64 109.577 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HG2' HG21 ' A' ' 7' ' ' THR . 40.1 Cg_endo -81.51 91.55 1.08 Allowed 'Trans proline' 0 N--CA 1.475 0.416 0 C-N-CA 121.809 1.672 . . . . 12.69 112.558 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.3 -79.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.738 -0.664 . . . . 10.41 110.65 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 t 175.34 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.402 -0.363 . . . . 8.23 110.579 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.54 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 p -92.69 -29.92 0.3 Allowed Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 113.82 1.045 . . . . 6.25 113.82 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 39.3 Cg_endo -79.0 72.23 6.62 Favored 'Trans proline' 0 C--N 1.354 0.852 0 CA-C-N 120.91 1.361 . . . . 5.11 112.581 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.51 HG21 ' HG2' ' A' ' 2' ' ' PRO . 5.3 t -166.98 34.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 4.67 110.527 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -124.62 12.79 8.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.931 -0.577 . . . . 3.87 111.416 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.3 m -107.48 -169.65 1.57 Allowed 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.785 -0.45 . . . . 2.4 109.785 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.8 t -160.43 152.19 19.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.268 0.556 . . . . 2.06 110.715 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -135.8 160.22 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 2.43 110.061 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.17 68.25 0.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.522 0.677 . . . . 3.12 110.218 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ASP . 9.6 mt -62.71 145.4 54.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 1.94 110.557 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 145.03 46.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 1.66 110.682 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -105.65 -36.99 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.817 -0.628 . . . . 2.95 110.339 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -68.23 154.73 41.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.207 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.1 mttp -86.32 127.62 34.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 3.18 110.649 -179.875 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.598 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 68.3 mt -89.78 140.14 27.85 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.623 -0.717 . . . . 1.44 109.767 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.19 155.95 37.67 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.379 1.386 . . . . 1.63 113.119 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.4 mt -80.68 -42.84 21.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.131 -0.941 . . . . 1.43 111.24 -179.375 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.55 -29.89 64.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.893 -0.594 . . . . 2.31 111.18 -179.415 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -13.94 39.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 4.07 111.459 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -74.98 153.33 38.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.564 0.697 . . . . 1.58 111.639 -179.18 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -42.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.755 -1.111 . . . . 3.03 110.179 179.44 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -167.22 177.58 6.08 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.844 -0.616 . . . . 2.07 109.846 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -149.0 158.22 44.02 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.315 -0.554 . . . . 1.74 111.202 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.1 mtt-85 -134.98 119.04 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.521 -0.763 . . . . 3.6 110.186 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -89.17 150.43 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 2.51 110.703 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CG1' HD11 ' A' ' 40' ' ' ILE . 43.0 mm -111.39 138.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.644 -0.707 . . . . 1.7 110.195 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -159.25 31.01 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.869 -0.605 . . . . 2.31 110.392 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.12 132.03 39.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.842 -0.617 . . . . 3.47 110.528 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.89 -26.27 65.14 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.122 -0.791 . . . . 2.68 111.122 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.71 -35.91 75.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.031 0.443 . . . . 5.35 110.536 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.41 151.09 88.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 2.1 110.312 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -81.43 -27.61 2.68 Favored 'Trans proline' 0 N--CA 1.473 0.288 0 C-N-CA 121.892 1.728 . . . . 2.27 112.497 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -150.37 134.2 16.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.807 -0.633 . . . . 3.28 110.434 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 169.91 1.5 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.399 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.77 -178.16 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.018 -0.537 . . . . 1.22 110.735 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.8 t -140.52 159.01 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.613 -0.721 . . . . 1.14 110.002 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.3 mp -135.95 129.49 47.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.592 -0.731 . . . . 1.73 109.699 179.216 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HB3' HD21 ' A' ' 23' ' ' LEU . 52.0 m-85 -106.79 146.22 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.577 . . . . 1.49 110.968 -179.279 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 23' ' ' LEU . 55.0 tttt -119.57 139.82 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.525 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -105.51 -169.34 1.58 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.463 -0.79 . . . . 1.89 110.075 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -98.32 29.45 3.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.244 -0.434 . . . . 3.19 110.862 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -124.72 21.14 8.44 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.157 -0.474 . . . . 2.68 111.05 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 38.52 17.82 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.227 0.537 . . . . 2.57 110.647 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -135.8 142.06 44.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 3.49 110.482 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.669 ' O ' HD13 ' A' ' 49' ' ' ILE . 15.7 m-20 -117.46 146.62 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.491 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.4 mm -135.3 154.8 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.641 . . . . 2.11 110.123 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 49' ' ' ILE . 2.0 m -92.47 156.24 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.82 110.283 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -154.34 151.7 29.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.798 -0.637 . . . . 1.23 111.001 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.668 ' CB ' HD13 ' A' ' 13' ' ' LEU . 19.2 t70 -89.73 139.62 27.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.493 -0.776 . . . . 2.22 109.697 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.66 2.14 8.12 Favored 'Trans proline' 0 N--CA 1.476 0.494 0 C-N-CA 121.446 1.431 . . . . 1.21 113.775 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -110.09 24.32 13.17 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.665 -0.414 . . . . 3.39 110.758 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.57 169.29 9.16 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.009 0.433 . . . . 2.31 110.209 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -85.07 -36.79 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.592 . . . . 3.69 110.69 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.598 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -83.95 -29.81 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.321 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' A' ' 41' ' ' PHE . 58.9 t -71.04 -46.24 68.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.288 -0.634 . . . . 0.97 109.288 178.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.72 -47.41 86.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.743 -0.662 . . . . 2.67 109.715 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -32.84 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.402 -0.817 . . . . 1.87 109.158 178.463 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.8 m -65.75 -54.21 30.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.455 -0.793 . . . . 1.05 110.432 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 ptm -61.5 -36.55 80.82 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.509 -0.476 . . . . 1.92 110.406 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -69.88 -34.15 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.332 0.587 . . . . 2.73 109.784 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.67 ' CD2' HD22 ' A' ' 20' ' ' LEU . 41.6 t80 -62.22 -51.95 65.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.347 -0.842 . . . . 1.59 110.1 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 65' ' ' LEU . 47.7 mt -63.88 -43.28 96.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.67 110.356 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.26 -33.15 71.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.637 -0.71 . . . . 1.95 109.774 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 15.05 11.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.605 -0.725 . . . . 3.11 111.538 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.0 -28.19 6.56 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.963 0.411 . . . . 4.18 111.244 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -62.06 151.07 81.87 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.048 -0.524 . . . . 2.77 110.355 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.93 171.05 13.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 121.807 1.671 . . . . 4.16 112.57 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.772 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 63.73 144.2 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.708 -0.678 . . . . 5.4 110.381 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.772 ' HD2' HG22 ' A' ' 71' ' ' THR . 41.4 Cg_endo -83.14 100.18 0.92 Allowed 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.835 1.69 . . . . 7.87 112.498 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.14 89.09 34.14 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.002 -0.544 . . . . 11.77 110.565 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 121.7 1.6 . . . . 11.1 112.542 179.969 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.553 -1.419 . . . . 13.64 109.553 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.04 142.89 12.58 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.921 1.747 . . . . 12.69 112.536 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.91 -44.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.821 -0.627 . . . . 10.41 110.444 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.0 p -64.56 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 8.23 110.436 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t 50.37 82.53 0.24 Allowed Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.922 -0.581 . . . . 6.25 111.297 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.82 122.74 3.97 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 121.817 1.678 . . . . 5.11 112.567 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.17 164.04 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.828 -0.624 . . . . 4.67 110.449 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 40' ' ' ILE . 30.2 m -87.58 -56.66 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 3.87 110.314 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HA ' HD13 ' A' ' 29' ' ' ILE . 59.4 m -79.6 -24.03 42.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.763 . . . . 2.4 110.95 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m 65.42 129.93 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.053 0.454 . . . . 2.06 110.293 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -121.0 -22.23 6.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.89 -0.595 . . . . 2.43 112.103 -179.074 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -117.11 16.3 14.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.088 -0.645 . . . . 3.12 112.694 -179.296 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 37.39 -160.04 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 O-C-N 123.455 0.472 . . . . 1.94 112.159 177.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.31 143.83 51.16 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.106 0.479 . . . . 1.66 110.465 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.81 -34.63 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 2.95 110.327 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 118.93 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 4.27 110.247 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -60.17 151.44 27.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 3.18 110.739 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.1 mt -110.94 140.02 22.31 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.927 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -79.19 159.71 26.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.475 1.45 . . . . 1.63 112.696 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.3 mt -80.48 -39.77 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.506 -0.77 . . . . 1.43 111.048 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.91 -30.32 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 2.31 110.893 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -92.25 -11.27 35.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 4.07 111.507 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.1 mt -74.74 138.19 42.55 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 1.58 110.924 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.2 -34.16 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 3.03 110.215 179.435 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.9 p -178.19 -172.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.851 -0.613 . . . . 2.07 110.051 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -154.45 155.68 35.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 1.74 110.508 179.779 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -140.26 111.35 7.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 3.6 110.735 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -82.7 149.21 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.818 -0.628 . . . . 2.51 110.066 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' ILE . 19.3 mt -111.16 120.6 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 1.7 110.386 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.1 m -165.85 32.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.279 -0.873 . . . . 2.31 110.247 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -81.33 -62.68 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 3.47 110.846 -179.57 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.04 -24.87 0.61 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.301 -0.72 . . . . 2.68 111.301 -179.671 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -69.29 -32.16 71.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.965 0.412 . . . . 5.35 110.382 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 29' ' ' ILE . 8.4 m -83.95 150.71 59.25 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.981 -0.554 . . . . 2.1 110.202 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.99 -25.39 3.47 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.805 1.67 . . . . 2.27 112.772 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -126.24 145.0 50.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.963 -0.562 . . . . 3.28 110.506 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -93.03 92.23 7.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 3.31 110.214 179.813 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.02 -177.26 3.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.885 -0.598 . . . . 1.22 110.635 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -119.74 156.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 1.14 110.192 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 29' ' ' ILE . 36.6 mt -132.85 129.92 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.227 -0.897 . . . . 1.73 109.386 179.177 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.668 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.1 m-85 -106.21 148.01 28.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.39 0.614 . . . . 1.49 111.141 -179.069 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -118.8 124.98 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.328 -0.851 . . . . 2.95 109.676 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 p -89.92 -174.04 4.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 1.89 110.13 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -97.38 29.94 3.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.209 -0.45 . . . . 3.19 110.739 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -124.67 20.96 8.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.111 -0.495 . . . . 2.68 110.926 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 37.55 15.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.005 0.431 . . . . 2.57 110.81 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -138.13 139.77 39.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.222 0.534 . . . . 3.49 110.527 179.733 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.01 151.05 23.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.655 -0.702 . . . . 2.28 110.445 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.6 mt -134.38 156.86 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.839 -0.619 . . . . 2.11 110.221 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.473 ' N ' HG22 ' A' ' 49' ' ' ILE . 64.0 m -96.2 154.3 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.563 -0.744 . . . . 1.82 110.564 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -159.07 156.77 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.259 0.552 . . . . 1.23 111.377 -179.821 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.86 ' HB3' HD22 ' A' ' 13' ' ' LEU . 2.0 p30 -101.46 150.17 37.0 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.543 -0.753 . . . . 2.22 110.23 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -80.28 4.11 7.09 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.646 1.564 . . . . 1.21 113.405 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.51 17.83 20.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.741 -0.384 . . . . 3.39 111.486 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -100.35 155.49 17.77 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.477 -0.489 . . . . 2.31 110.347 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -73.02 -41.61 64.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 3.69 110.834 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CE2' HG23 ' A' ' 58' ' ' VAL . 61.5 p-90 -76.28 -29.07 57.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.33 110.657 -179.849 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.1 t -75.33 -41.39 43.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.158 -0.682 . . . . 0.97 109.158 178.789 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.61 -46.74 88.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.56 -0.746 . . . . 2.67 109.912 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.53 -35.79 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.745 . . . . 1.87 109.4 178.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.5 m -63.97 -50.85 66.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.35 -0.841 . . . . 1.05 109.918 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.426 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 2.2 ttp -62.21 -46.96 86.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.715 -0.675 . . . . 1.92 110.331 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -64.05 -34.73 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.624 . . . . 2.73 109.59 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.7 t80 -62.44 -53.51 53.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.339 -0.846 . . . . 1.59 109.851 179.593 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 26' ' ' TYR . 50.3 mt -66.42 -41.7 88.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.76 -0.654 . . . . 1.67 110.006 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.21 -32.24 72.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.293 -0.867 . . . . 1.95 110.201 179.419 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -77.2 -47.83 19.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.889 -0.596 . . . . 3.11 110.488 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' HD2' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -91.4 22.31 4.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.643 -0.708 . . . . 4.18 111.649 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -57.53 110.59 2.59 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 121.037 -0.265 . . . . 2.77 110.698 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.44 173.98 10.19 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.601 1.534 . . . . 4.16 112.621 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -86.07 -51.88 0.47 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.88 -0.6 . . . . 5.4 110.615 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.2 Cg_endo -81.95 125.64 4.82 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.674 1.582 . . . . 7.87 112.609 -179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 tttp 60.29 85.25 0.18 Allowed Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.818 -0.628 . . . . 11.77 110.494 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 121.878 1.719 . . . . 11.1 112.593 179.961 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 13.64 109.542 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.22 -41.86 0.11 Allowed 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 121.867 1.711 . . . . 12.69 112.639 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.84 138.95 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.853 -0.612 . . . . 10.41 110.464 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.597 ' O ' HG23 ' A' ' 5' ' ' VAL . 6.9 t -64.71 -52.14 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 8.23 110.351 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 4' ' ' SER . 4.4 t -155.41 -66.87 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 115.942 -0.572 . . . . 6.25 109.953 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 5' ' ' VAL . 37.6 Cg_endo -72.28 -80.78 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 121.055 1.17 . . . . 5.11 112.733 179.319 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -165.71 -53.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 4.67 110.353 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -69.4 -162.44 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.724 -0.671 . . . . 3.87 110.644 -179.471 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.1 m -79.23 165.21 23.5 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.003 0.43 . . . . 2.4 110.412 -179.57 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.04 113.37 2.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 2.06 110.83 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -112.72 -36.28 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.734 -0.666 . . . . 2.43 110.403 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.15 94.8 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 3.12 110.309 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' CG ' ' A' ' 52' ' ' ASP . 31.0 mt -63.42 140.33 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 1.94 110.402 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.38 35.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 1.66 110.425 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.01 -31.85 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.765 -0.652 . . . . 2.95 110.406 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -70.26 121.03 16.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 4.27 110.628 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 1.6 mtpt -58.32 124.42 19.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 3.18 110.45 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.81 139.73 27.75 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.766 -0.652 . . . . 1.44 109.961 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.71 157.06 24.59 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.458 1.438 . . . . 1.63 112.924 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 64' ' ' TYR . 31.5 mt -80.88 -43.91 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 1.43 111.187 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.28 -28.94 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.795 -0.639 . . . . 2.31 111.239 -179.291 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -91.32 -12.35 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 4.07 111.517 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.2 mt -72.59 145.12 47.59 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.344 0.592 . . . . 1.58 111.015 -179.461 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -116.57 -40.81 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 3.03 110.094 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.03 175.53 2.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.717 -0.674 . . . . 2.07 109.809 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -143.75 156.16 44.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.353 -0.539 . . . . 1.74 110.917 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 tpm_? -130.91 116.24 17.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.564 -0.744 . . . . 3.6 110.021 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 15.7 ttp180 -88.34 143.94 26.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.398 0.618 . . . . 2.51 110.782 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.567 ' CG1' HD11 ' A' ' 40' ' ' ILE . 1.8 mt -105.89 -153.81 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.182 -0.917 . . . . 1.7 108.614 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.561 HG23 ' C ' ' A' ' 29' ' ' ILE . 1.5 p 78.14 35.44 0.26 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.274 0.559 . . . . 2.31 110.099 -179.54 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -109.97 -171.23 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 3.47 110.192 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.44 63.25 3.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.686 -0.965 . . . . 2.68 110.686 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -165.33 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 5.35 110.588 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' ILE . 2.1 m -66.2 152.27 94.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.682 -0.69 . . . . 2.1 110.432 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.17 -57.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.942 1.762 . . . . 2.27 112.716 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -81.88 -177.96 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.7 -0.682 . . . . 3.28 110.444 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.08 136.94 54.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.455 -179.918 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.58 -173.42 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.883 -0.599 . . . . 1.22 110.615 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.7 t -134.33 159.59 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.639 -0.71 . . . . 1.14 109.923 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.8 mp -127.12 136.49 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 1.73 109.849 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -116.87 149.8 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.297 0.57 . . . . 1.49 111.001 -179.298 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.786 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.4 ttpt -123.81 141.16 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.394 -0.821 . . . . 2.95 109.945 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -104.32 -166.15 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 1.89 110.103 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -97.5 29.42 3.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.851 0.358 . . . . 3.19 110.829 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.46 19.81 8.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.162 -0.472 . . . . 2.68 110.966 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 37.42 19.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.219 0.533 . . . . 2.57 110.609 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -130.49 147.39 52.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 3.49 110.468 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.93 149.23 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 2.28 110.414 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 49' ' ' ILE . 3.0 mp -134.0 162.39 39.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.78 -0.646 . . . . 2.11 110.017 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 49' ' ' ILE . 97.1 m -98.39 144.26 27.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.6 -0.727 . . . . 1.82 110.167 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -146.05 149.44 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.806 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.678 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.8 t0 -95.64 147.52 33.13 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.697 -0.683 . . . . 2.22 109.773 179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.87 6.4 5.55 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 121.615 1.544 . . . . 1.21 113.709 -179.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -110.19 19.4 18.95 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.703 -0.399 . . . . 3.39 111.135 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.6 160.92 13.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.06 0.457 . . . . 2.31 110.415 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.41 -32.61 37.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 3.69 110.784 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -85.51 -26.5 26.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.504 -0.478 . . . . 1.33 110.488 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.9 t -74.3 -43.98 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.197 -0.668 . . . . 0.97 109.197 178.771 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.88 -40.56 95.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 2.67 109.553 179.605 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -33.92 69.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.93 -0.767 . . . . 1.87 108.93 178.311 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -66.17 -54.74 21.69 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.285 -0.87 . . . . 1.05 110.488 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.25 -33.88 75.46 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.433 -0.507 . . . . 1.92 110.136 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.465 0.65 . . . . 2.73 109.387 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.1 t80 -60.92 -50.55 72.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.16 -0.927 . . . . 1.59 110.032 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.5 mt -65.74 -41.59 91.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.67 110.534 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -28.64 67.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.454 -0.793 . . . . 1.95 110.348 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -74.56 -46.75 36.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 3.11 111.123 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -60.33 -20.24 58.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 4.18 111.225 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -57.01 151.36 34.43 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 121.005 -0.278 . . . . 2.77 110.798 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.11 -17.67 7.86 Favored 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 121.936 1.757 . . . . 4.16 113.141 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -113.38 89.56 15.17 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.416 -0.356 . . . . 5.4 110.576 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.71 87.71 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 121.799 1.666 . . . . 7.87 112.63 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.0 pttt 41.14 62.06 6.98 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 115.653 -0.703 . . . . 11.77 112.081 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.844 1.696 . . . . 11.1 112.523 179.897 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.519 -1.433 . . . . 13.64 109.519 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -81.72 -60.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 121.832 1.688 . . . . 12.69 112.722 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.32 163.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.921 -0.581 . . . . 10.41 110.521 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 p -63.28 173.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 8.23 110.516 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.88 139.64 57.78 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.921 -0.581 . . . . 6.25 110.069 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.49 120.95 3.29 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.703 1.602 . . . . 5.11 112.676 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.59 77.44 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 4.67 110.244 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.7 -177.98 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 3.87 110.384 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 m -104.99 136.04 45.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.796 -0.638 . . . . 2.4 110.162 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.71 103.62 14.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.578 . . . . 2.06 110.434 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.72 -32.96 11.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.774 -0.648 . . . . 2.43 110.417 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.17 80.67 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.761 -0.654 . . . . 3.12 110.374 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 52' ' ' ASP . 22.9 mt -65.52 140.36 58.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.715 -0.675 . . . . 1.94 110.408 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -68.68 136.39 52.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 1.66 110.434 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.38 -33.82 9.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.802 -0.635 . . . . 2.95 110.403 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -79.17 131.13 36.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.76 -0.655 . . . . 4.27 110.312 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.7 mtmt -63.83 125.55 24.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 3.18 110.535 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.628 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.3 mt -89.88 139.87 27.66 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.866 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.02 157.57 34.32 Favored 'Trans proline' 0 N--CA 1.475 0.439 0 C-N-CA 121.421 1.414 . . . . 1.63 112.988 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.61 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.46 -41.45 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 1.43 111.089 -179.374 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -57.87 -30.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 2.31 110.957 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -89.18 -14.39 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 4.07 111.274 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 20' ' ' LEU . 8.4 mt -74.01 145.92 44.19 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.267 0.556 . . . . 1.58 111.122 -179.535 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -117.05 -39.71 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.419 -0.81 . . . . 3.03 110.382 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.8 p -172.46 -170.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 2.07 110.484 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.706 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -153.97 147.5 25.09 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.948 -0.569 . . . . 1.74 110.743 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -130.9 98.88 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.466 -0.788 . . . . 3.6 110.39 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -63.93 148.64 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.849 -0.614 . . . . 2.51 110.481 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.604 HD11 ' CG1' ' A' ' 40' ' ' ILE . 43.4 mt -114.61 135.44 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.556 -0.747 . . . . 1.7 110.16 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -178.12 38.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.596 . . . . 2.31 110.365 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 t -61.28 -31.84 71.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 3.47 110.651 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.47 -28.46 7.84 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.988 -0.845 . . . . 2.68 110.988 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.75 -32.45 70.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.007 0.432 . . . . 5.35 110.581 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.45 154.06 95.22 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.901 -0.59 . . . . 2.1 110.394 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.97 -27.25 2.56 Favored 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 121.846 1.697 . . . . 2.27 112.66 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.46 130.69 26.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 3.28 110.621 -179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 154.54 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 3.31 110.308 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.49 -178.06 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.572 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 40' ' ' ILE . 48.9 t -135.92 158.11 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.704 -0.68 . . . . 1.14 110.33 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.604 ' CG1' HD11 ' A' ' 29' ' ' ILE . 46.4 mt -126.71 129.26 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.324 -0.853 . . . . 1.73 109.631 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 26' ' ' TYR . 14.7 m-30 -112.52 147.07 37.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.439 0.637 . . . . 1.49 111.019 -179.456 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -122.09 138.1 54.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.194 -0.912 . . . . 2.95 109.358 178.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -98.46 -165.37 1.24 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.39 -0.823 . . . . 1.89 109.891 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.85 29.12 3.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.393 . . . . 3.19 110.723 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mt -122.31 19.86 10.56 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.106 -0.497 . . . . 2.68 111.001 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 38.14 19.64 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.115 0.484 . . . . 2.57 110.681 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -135.7 147.51 48.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 3.49 110.444 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.26 154.04 28.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.619 -0.719 . . . . 2.28 110.29 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 55.5 mt -141.72 159.18 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 2.11 110.306 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 85.7 m -90.24 144.58 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 1.82 110.086 179.695 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.86 137.79 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.23 110.763 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.704 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -90.73 151.05 43.35 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.107 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.41 5.87 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 121.694 1.596 . . . . 1.21 113.422 -179.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.17 18.99 19.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.582 -0.447 . . . . 3.39 111.259 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -100.59 152.96 19.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.034 0.445 . . . . 2.31 110.261 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -71.54 -42.87 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 3.69 110.56 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.628 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 64.3 p-90 -76.02 -26.4 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.909 -0.587 . . . . 1.33 110.558 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.6 t -79.5 -40.41 21.46 Favored 'Isoleucine or valine' 0 C--O 1.23 0.044 0 N-CA-C 109.378 -0.601 . . . . 0.97 109.378 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.94 -40.92 99.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.407 0.623 . . . . 2.67 109.665 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.72 -32.89 68.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 1.87 109.354 178.641 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 2.0 m -67.47 -49.86 61.67 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.529 -0.76 . . . . 1.05 110.53 179.628 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 ptm -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.1 -0.5 . . . . 1.92 110.111 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -71.6 -37.93 70.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.452 0.644 . . . . 2.73 109.404 179.301 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CD2' HD22 ' A' ' 20' ' ' LEU . 21.9 t80 -63.44 -48.12 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.125 -0.943 . . . . 1.59 109.547 179.382 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' CD1' ' A' ' 26' ' ' TYR . 98.2 mt -66.54 -44.1 83.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.612 -0.722 . . . . 1.67 110.116 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.98 -33.51 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 1.95 109.988 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -61.85 -26.61 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.739 -0.664 . . . . 3.11 110.765 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -55.32 -30.36 60.07 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.01 0.433 . . . . 4.18 110.98 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -77.11 165.1 54.71 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.947 -0.57 . . . . 2.77 110.398 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.79 97.63 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.937 1.758 . . . . 4.16 112.564 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.93 87.35 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 5.4 110.457 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.24 106.0 1.52 Allowed 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 121.927 1.752 . . . . 7.87 112.601 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -109.84 159.94 29.86 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.865 -0.607 . . . . 11.77 110.433 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.221 -0.351 0 C-N-CA 121.833 1.689 . . . . 11.1 112.655 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.542 -1.423 . . . . 13.64 109.542 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.17 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.476 0.442 0 C-N-CA 121.835 1.69 . . . . 12.69 112.557 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.32 104.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 10.41 110.397 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -126.83 84.31 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.797 -0.638 . . . . 8.23 110.405 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 5' ' ' VAL . 10.1 m -113.12 89.22 13.66 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.81 -0.632 . . . . 6.25 110.515 -179.792 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.9 79.68 3.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 121.902 1.735 . . . . 5.11 112.514 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.33 32.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 4.67 110.489 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 9' ' ' CYS . 24.2 m -62.03 154.37 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.84 -0.618 . . . . 3.87 110.363 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 29' ' ' ILE . 1.1 m -93.0 -79.07 0.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.838 -0.619 . . . . 2.4 110.346 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 14.8 t -179.12 141.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.499 . . . . 2.06 110.12 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 10' ' ' CYS . 33.7 m-85 -137.91 36.29 2.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 2.43 110.242 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -154.2 62.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 3.12 109.826 179.69 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' ASP . 42.3 mt -58.51 144.36 42.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.472 -0.785 . . . . 1.94 110.904 -179.692 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.83 142.75 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.699 -0.682 . . . . 1.66 110.579 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -105.05 -35.99 7.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 2.95 110.272 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -82.48 124.35 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.732 -0.667 . . . . 4.27 110.281 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -58.83 130.86 48.98 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.857 -0.61 . . . . 3.18 110.876 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.81 139.92 27.78 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.825 179.884 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.66 159.11 31.91 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.343 1.362 . . . . 1.63 112.979 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.857 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.3 mt -80.39 -39.25 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.398 -0.819 . . . . 1.43 110.997 -179.515 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -59.05 -30.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 2.31 110.898 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -92.14 -11.38 35.78 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.888 -0.597 . . . . 4.07 111.404 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.0 mt -77.73 146.17 36.1 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.411 0.624 . . . . 1.58 111.222 -179.605 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.35 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.191 -0.913 . . . . 3.03 110.064 179.156 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -177.74 178.38 1.0 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.768 -0.651 . . . . 2.07 109.792 179.827 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 62' ' ' MET . 7.8 p90 -140.61 160.47 39.94 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.461 -0.496 . . . . 1.74 110.632 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -139.52 101.53 4.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 3.6 110.443 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.81 149.68 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.626 . . . . 2.51 110.195 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 40' ' ' ILE . 44.8 mt -112.02 155.49 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.748 -0.66 . . . . 1.7 110.373 -179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 29' ' ' ILE . 4.5 t -175.5 41.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.631 . . . . 2.31 110.213 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.56 164.94 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 3.47 110.691 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.6 -29.51 29.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.964 -0.854 . . . . 2.68 110.964 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -99.08 30.02 3.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.914 0.388 . . . . 5.35 110.584 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.86 148.36 35.72 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.251 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.74 -32.88 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.836 1.691 . . . . 2.27 112.649 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -149.95 146.23 26.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.781 -0.645 . . . . 3.28 110.472 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -76.72 166.65 23.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.746 -0.661 . . . . 3.31 110.236 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.71 -177.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 1.22 110.603 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.4 t -134.03 158.97 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.759 -0.655 . . . . 1.14 110.399 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 29' ' ' ILE . 43.8 mt -133.99 130.7 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.427 -0.806 . . . . 1.73 109.957 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.704 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.3 m-85 -109.02 154.14 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.27 0.557 . . . . 1.49 111.018 -179.432 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -132.47 128.43 37.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.492 -0.777 . . . . 2.95 109.866 179.29 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -89.73 -166.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 1.89 109.995 -179.72 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -97.52 29.19 3.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 3.19 110.72 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.55 20.82 10.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.238 -0.437 . . . . 2.68 110.967 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.68 36.75 19.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.14 0.495 . . . . 2.57 110.56 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 140.95 49.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.928 -0.578 . . . . 3.49 110.52 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -114.48 149.05 36.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.777 -0.647 . . . . 2.28 110.25 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -137.25 158.77 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.857 -0.61 . . . . 2.11 110.329 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' ILE . 1.6 m -90.56 154.48 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.734 -0.666 . . . . 1.82 110.268 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.81 146.0 21.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.23 110.527 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.691 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.7 t0 -89.85 144.12 31.14 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.815 -0.63 . . . . 2.22 109.83 179.698 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.19 -0.85 11.09 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.584 1.523 . . . . 1.21 113.544 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -110.3 24.5 12.91 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.654 -0.418 . . . . 3.39 110.98 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 176.04 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.064 0.459 . . . . 2.31 110.431 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -88.16 -53.08 4.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 3.69 110.851 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -69.48 -27.84 65.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 1.33 110.186 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.704 HG13 ' HE2' ' A' ' 41' ' ' PHE . 47.8 t -73.99 -38.81 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.122 -0.695 . . . . 0.97 109.122 178.781 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.16 -47.53 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.356 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.76 -35.25 79.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 1.87 109.315 178.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -64.89 -51.99 58.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.363 -0.835 . . . . 1.05 110.025 179.453 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 4.0 ttp -62.95 -43.91 97.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.094 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -65.1 -35.77 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 2.73 109.548 179.245 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.857 ' CD2' HD22 ' A' ' 20' ' ' LEU . 30.5 t80 -62.15 -54.68 37.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.832 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 68' ' ' LYS . 83.6 mt -67.07 -41.24 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.701 -0.681 . . . . 1.67 109.916 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.64 -29.55 70.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.291 -0.868 . . . . 1.95 110.132 179.097 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -90.12 9.58 27.7 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.038 -0.528 . . . . 3.11 111.709 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.598 ' HD2' HD23 ' A' ' 65' ' ' LEU . 22.3 mtpp -72.67 -71.0 0.32 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.171 0.51 . . . . 4.18 110.302 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -91.12 -54.71 0.27 Allowed Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.663 -0.698 . . . . 2.77 110.785 -179.936 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 40.9 Cg_endo -84.37 136.34 6.54 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 121.573 1.515 . . . . 4.16 112.573 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.516 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 2.8 p -85.22 -39.14 0.62 Allowed Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.014 -0.539 . . . . 5.4 111.966 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.9 Cg_endo -84.24 -175.28 2.12 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 121.223 1.282 . . . . 7.87 112.471 -179.763 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.43 72.23 6.15 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.848 -0.614 . . . . 11.77 110.367 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--O 1.22 -0.384 0 C-N-CA 121.902 1.735 . . . . 11.1 112.6 -179.973 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.559 -1.417 . . . . 13.64 109.559 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.04 -43.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 121.824 1.683 . . . . 12.69 112.637 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.59 89.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 10.41 110.518 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.4 p -115.19 117.86 31.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 8.23 110.512 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -114.85 85.44 11.75 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.887 -0.597 . . . . 6.25 110.319 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.74 -29.32 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 121.825 1.684 . . . . 5.11 112.519 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.1 -176.96 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 4.67 110.397 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.739 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.9 t -107.31 -27.79 10.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 3.87 110.759 -179.826 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -92.36 175.7 6.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.4 110.38 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -104.99 135.94 45.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.871 -0.604 . . . . 2.06 110.568 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -109.85 -32.69 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.773 -0.648 . . . . 2.43 110.335 179.813 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -83.29 83.2 7.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 3.12 110.128 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 52' ' ' ASP . 31.5 mt -66.58 142.42 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.518 -179.748 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' CYS . . . -61.31 157.78 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 1.66 110.589 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.865 -0.607 . . . . 2.95 110.302 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -73.58 122.22 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 4.27 110.173 179.797 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -58.85 134.38 56.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 3.18 110.761 -179.685 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.7 mt -89.94 139.9 27.57 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.993 179.895 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -77.91 159.14 31.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.439 1.426 . . . . 1.63 112.823 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.84 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.4 mt -80.55 -42.39 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.437 -0.801 . . . . 1.43 111.126 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 2.31 111.071 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -92.12 -12.23 33.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.366 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.1 146.04 43.9 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.395 0.617 . . . . 1.58 111.135 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.47 -41.86 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.195 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 t 179.84 156.04 0.6 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.811 -0.631 . . . . 2.07 109.892 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 12.4 p90 -118.29 158.71 24.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.062 0.458 . . . . 1.74 110.711 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -132.99 107.44 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 3.6 110.314 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' HG3' HG22 ' A' ' 39' ' ' VAL . 59.0 ttp85 -87.49 151.22 23.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.866 -0.606 . . . . 2.51 110.549 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -113.61 152.11 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 1.7 110.235 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' THR . 7.3 m -161.95 31.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.786 -0.643 . . . . 2.31 110.472 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -68.15 150.75 47.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 3.47 110.52 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.16 -32.27 63.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.737 -0.945 . . . . 2.68 110.737 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -31.2 68.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 5.35 110.575 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' HG23 ' A' ' 8' ' ' THR . 1.0 OUTLIER -60.42 147.94 81.33 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 2.1 110.348 -179.832 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.16 -29.78 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.763 1.642 . . . . 2.27 112.445 179.799 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -153.78 132.94 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 3.28 110.384 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -65.36 143.43 57.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 3.31 110.608 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.95 -176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.79 -0.641 . . . . 1.22 110.254 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.1 t -133.41 157.84 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.406 0.622 . . . . 1.14 110.693 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 49' ' ' ILE . 54.0 mt -134.55 130.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.099 -0.955 . . . . 1.73 109.555 179.283 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.662 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -107.88 147.52 30.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.407 0.622 . . . . 1.49 111.053 -179.188 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -128.07 127.26 42.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.264 -0.88 . . . . 2.95 109.625 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -91.08 -167.31 1.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.744 -0.662 . . . . 1.89 110.018 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.55 28.54 3.72 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 3.19 110.701 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -120.86 21.35 11.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.161 -0.472 . . . . 2.68 110.88 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.64 36.01 19.75 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.126 0.489 . . . . 2.57 110.572 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -130.78 152.42 50.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.549 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -123.85 153.48 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.845 -0.616 . . . . 2.28 110.249 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 40' ' ' ILE . 52.9 mt -140.42 159.48 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.904 -0.589 . . . . 2.11 110.395 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.2 m -94.54 146.76 23.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 1.82 110.345 179.894 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.21 141.05 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 1.23 110.647 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.702 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -100.2 159.0 30.96 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.801 -0.636 . . . . 2.22 109.926 179.782 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -80.61 7.28 4.91 Favored 'Trans proline' 0 N--CA 1.477 0.511 0 C-N-CA 121.849 1.699 . . . . 1.21 113.757 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.11 10.43 39.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.652 -0.419 . . . . 3.39 111.487 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.47 158.05 16.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.098 0.475 . . . . 2.31 110.449 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -75.83 -48.17 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.732 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.7 p-90 -69.23 -28.17 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 1.33 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.702 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.4 t -75.46 -38.03 38.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.183 -0.673 . . . . 0.97 109.183 178.877 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.97 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 2.67 109.517 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.85 -35.6 80.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 1.87 109.322 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -65.59 -50.68 64.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.325 -0.852 . . . . 1.05 110.111 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.17 -41.75 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 1.92 110.229 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -67.41 -40.64 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.357 0.598 . . . . 2.73 109.793 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.84 ' CD2' HD22 ' A' ' 20' ' ' LEU . 59.1 t80 -64.98 -49.41 70.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.272 -0.876 . . . . 1.59 109.481 179.455 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 78.6 mt -66.55 -40.63 89.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.648 -0.706 . . . . 1.67 109.991 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.13 -34.51 73.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 1.95 110.197 179.471 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -54.76 33.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.685 . . . . 3.11 110.328 179.813 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -91.42 21.86 4.29 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.578 -0.737 . . . . 4.18 111.617 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t -77.39 114.6 42.0 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.813 -0.355 . . . . 2.77 110.434 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.32 -24.58 3.67 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 121.576 1.517 . . . . 4.16 112.701 179.885 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.6 167.2 17.02 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.992 -0.549 . . . . 5.4 110.239 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.57 -166.86 0.43 Allowed 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 121.849 1.7 . . . . 7.87 112.514 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 14.6 mttt -81.4 -58.08 0.51 Allowed Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.125 -0.489 . . . . 11.77 110.699 -179.656 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.2 Cg_endo . . . . . 0 N--CA 1.477 0.54 0 C-N-CA 121.546 1.498 . . . . 11.1 112.505 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.039 0.447 . . . . 2.06 110.59 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -133.81 -47.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.759 -0.655 . . . . 2.43 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.38 93.67 9.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.689 . . . . 3.12 110.287 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 52' ' ' ASP . 42.2 mt -61.04 152.85 26.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 1.94 110.582 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -81.34 139.03 35.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.746 -0.661 . . . . 1.66 110.53 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -101.8 -36.5 8.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 2.95 110.28 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -79.07 119.01 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.741 -0.663 . . . . 4.27 110.305 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -59.04 130.73 48.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 3.18 110.791 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.84 139.52 27.67 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.741 -0.663 . . . . 1.44 109.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.53 160.94 25.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 121.501 1.467 . . . . 1.63 112.766 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.799 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.1 mt -80.45 -40.83 25.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 1.43 111.09 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 2.31 110.906 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -91.31 -12.98 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 4.07 111.332 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.76 143.57 51.17 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.299 0.571 . . . . 1.58 110.903 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.66 -41.31 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.354 -0.839 . . . . 3.03 110.112 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 p -169.43 -179.6 3.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.775 -0.648 . . . . 2.07 109.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.671 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.5 p90 -151.45 154.19 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 1.74 110.563 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.631 ' O ' HD12 ' A' ' 40' ' ' ILE . 12.9 ttm180 -139.44 128.47 23.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 3.6 110.686 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' A' ' 39' ' ' VAL . 2.1 ttp180 -107.87 148.07 30.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.186 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -127.09 140.29 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.767 -0.651 . . . . 1.7 110.489 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -164.62 32.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.712 -0.677 . . . . 2.31 110.316 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -171.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.728 -0.669 . . . . 3.47 110.609 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.19 -9.48 53.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 115.842 -0.617 . . . . 2.68 111.879 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -98.66 29.91 3.51 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-O 121.018 0.437 . . . . 5.35 110.766 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -132.02 149.5 73.47 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.233 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.77 -28.13 1.8 Allowed 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.907 1.738 . . . . 2.27 112.484 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -136.91 170.76 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 3.28 110.412 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.58 136.02 50.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 3.31 110.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.05 -171.91 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.799 -0.637 . . . . 1.22 110.545 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 28' ' ' ARG . 58.3 t -119.81 159.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.176 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -130.84 130.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 1.73 109.546 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' A' ' 58' ' ' VAL . 48.7 m-85 -107.05 151.09 25.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.266 0.555 . . . . 1.49 110.923 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -128.1 126.96 42.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.46 -0.791 . . . . 2.95 109.672 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.1 p -89.91 -167.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 1.89 110.034 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -97.93 29.1 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 3.19 110.63 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -121.81 20.3 10.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.179 -0.464 . . . . 2.68 110.919 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.51 36.75 19.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.176 0.512 . . . . 2.57 110.632 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -132.67 145.13 50.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.91 -0.587 . . . . 3.49 110.56 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.663 ' O ' HD13 ' A' ' 49' ' ' ILE . 35.2 m-20 -116.06 147.03 41.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 2.28 110.354 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 48' ' ' ASP . 39.3 mm -134.81 152.51 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.896 -0.593 . . . . 2.11 110.387 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.09 152.98 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 1.82 110.219 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.11 137.74 10.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 1.23 110.507 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.703 ' O ' HG11 ' A' ' 58' ' ' VAL . 9.0 p-10 -93.52 153.1 41.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 2.22 109.951 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.52 12.7 2.79 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 121.9 1.733 . . . . 1.21 113.931 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -110.08 16.75 21.64 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.636 -0.426 . . . . 3.39 111.421 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -100.48 171.04 7.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.134 0.492 . . . . 2.31 110.491 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -88.42 -33.02 18.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.499 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.435 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.1 p-90 -86.35 -26.57 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 1.33 110.448 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 52' ' ' ASP . 64.6 t -75.48 -42.53 42.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 109.336 -0.616 . . . . 0.97 109.336 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.85 -47.75 82.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 2.67 109.737 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.33 -35.52 80.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.467 -0.788 . . . . 1.87 109.34 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -64.63 -52.01 59.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.363 -0.835 . . . . 1.05 109.931 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.9 ttm -61.62 -44.79 96.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 1.92 110.238 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -64.44 -35.1 79.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.82 -0.627 . . . . 2.73 109.707 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.799 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.0 t80 -62.8 -53.49 53.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.204 -0.907 . . . . 1.59 109.842 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 26' ' ' TYR . 56.7 mt -65.72 -41.82 91.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 1.67 110.045 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.31 -33.64 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.257 -0.883 . . . . 1.95 110.207 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 3.11 110.569 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.174 0.512 . . . . 2.06 110.652 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -108.68 -32.42 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 2.43 110.259 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.05 83.41 5.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.382 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 52' ' ' ASP . 23.5 mt -72.17 140.53 48.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -62.29 137.12 58.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.66 110.534 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.73 -36.39 8.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.794 -0.639 . . . . 2.95 110.352 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -80.78 122.75 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.725 -0.67 . . . . 4.27 110.302 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -60.99 138.04 58.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.829 -0.623 . . . . 3.18 110.65 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -97.58 139.78 21.59 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.799 -0.637 . . . . 1.44 110.01 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.5 159.3 25.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.582 1.521 . . . . 1.63 112.894 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.62 -38.2 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.43 110.937 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -59.3 -31.2 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 2.31 110.836 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -94.4 -10.84 31.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 4.07 111.254 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 20' ' ' LEU . 5.3 mt -70.58 142.63 51.71 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.275 0.56 . . . . 1.58 110.816 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.28 -41.36 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 3.03 109.953 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.32 -179.66 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.668 -0.697 . . . . 2.07 109.879 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.0 p90 -149.77 151.34 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 1.74 110.692 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 106.6 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 3.6 110.406 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 39' ' ' VAL . 61.3 ttp85 -84.46 146.67 27.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.821 -0.627 . . . . 2.51 110.384 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.06 134.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 1.7 110.379 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.5 m -164.1 31.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.427 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 t -74.36 -173.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.943 -0.571 . . . . 3.47 110.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.32 31.57 7.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -114.37 -38.62 4.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.084 0.468 . . . . 5.35 110.526 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.98 150.49 58.67 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.864 -0.607 . . . . 2.1 110.377 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.29 -26.44 2.77 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.814 1.676 . . . . 2.27 112.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -133.3 104.47 6.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.88 -0.6 . . . . 3.28 110.382 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -59.28 145.39 43.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.922 -0.581 . . . . 3.31 110.523 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.43 -178.67 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.228 0.537 . . . . 1.22 110.914 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 28' ' ' ARG . 93.1 t -127.65 156.99 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.428 -0.805 . . . . 1.14 109.998 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' N ' HG12 ' A' ' 39' ' ' VAL . 29.8 mm -124.02 142.43 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 1.73 109.398 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.669 ' CE2' HG13 ' A' ' 58' ' ' VAL . 30.6 m-85 -120.02 147.17 45.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.351 0.596 . . . . 1.49 110.888 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.9 mtmt -124.8 132.03 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.256 -0.884 . . . . 2.95 109.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -99.37 -163.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 1.89 109.889 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -96.31 27.89 3.53 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.457 -0.338 . . . . 3.19 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -121.68 18.91 11.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.346 -0.388 . . . . 2.68 111.066 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.5 32.24 21.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.453 . . . . 2.57 110.632 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -126.44 150.46 48.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 3.49 110.548 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.683 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -116.8 148.47 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.68 -0.691 . . . . 2.28 110.365 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.7 mm -135.78 142.88 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.21 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.8 m -77.43 149.5 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 1.82 110.326 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -155.84 138.14 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.676 . . . . 1.23 110.606 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.9 p-10 -93.0 154.18 41.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 2.22 110.211 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.05 5.85 5.7 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 121.819 1.679 . . . . 1.21 113.657 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -103.42 14.38 31.53 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.718 -0.393 . . . . 3.39 111.287 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mmtt -100.53 154.22 18.73 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.051 0.453 . . . . 2.31 110.291 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -74.48 -34.04 63.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.936 -0.574 . . . . 3.69 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -83.86 -26.48 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.478 -0.489 . . . . 1.33 110.378 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.669 HG13 ' CE2' ' A' ' 41' ' ' PHE . 60.0 t -78.41 -43.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.079 0 N-CA-C 109.699 -0.482 . . . . 0.97 109.699 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -63.49 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 2.67 109.737 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -36.55 64.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.652 -0.704 . . . . 1.87 109.273 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.327 -0.851 . . . . 1.05 109.901 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.96 -47.02 84.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.73 . . . . 1.92 110.225 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -65.66 -35.87 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 2.73 109.763 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 53.3 t80 -64.57 -48.21 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.311 -0.859 . . . . 1.59 109.862 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 77.2 mt -70.56 -42.29 71.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.341 0.591 . . . . 1.67 109.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.14 -22.67 67.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.583 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-N 116.415 -0.357 . . . . 3.11 111.607 -179.27 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.102 0.477 . . . . 2.06 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.2 164.52 24.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 2.43 110.434 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 60.83 74.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.838 -0.619 . . . . 3.12 110.434 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 51' ' ' ALA . 28.1 mt -64.49 140.26 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.656 -0.702 . . . . 1.94 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 136.47 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.767 -0.651 . . . . 1.66 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -97.55 -33.87 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 2.95 110.227 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -77.46 170.18 17.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.196 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mtmt -100.1 126.99 46.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.506 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.92 139.94 27.61 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.728 -0.669 . . . . 1.44 109.996 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.92 158.84 31.06 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.467 1.445 . . . . 1.63 112.921 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' CD2' ' A' ' 64' ' ' TYR . 49.3 mt -80.45 -40.19 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.402 -0.817 . . . . 1.43 111.096 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.44 -30.75 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 2.31 110.915 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -90.36 -12.61 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 4.07 111.424 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -75.12 147.49 40.5 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.434 0.635 . . . . 1.58 111.077 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -117.87 -40.51 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.167 -0.924 . . . . 3.03 110.012 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.1 p -172.28 -171.2 0.8 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 2.07 109.942 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -153.32 153.97 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 1.74 110.639 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 101.42 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 3.6 110.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.73 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.7 ttt180 -71.87 157.47 37.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.619 . . . . 2.51 110.243 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 40' ' ' ILE . 48.8 mt -129.17 132.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 1.7 110.324 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -171.7 35.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.57 -0.741 . . . . 2.31 110.126 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 t -66.1 -50.67 63.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 3.47 110.553 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.4 -28.44 3.44 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.997 -0.841 . . . . 2.68 110.997 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.69 -32.5 71.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.072 0.463 . . . . 5.35 110.488 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.57 156.98 87.48 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.905 -0.589 . . . . 2.1 110.366 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.4 -27.02 2.97 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.778 1.652 . . . . 2.27 112.688 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 127.4 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 3.28 110.618 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.19 120.65 17.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.741 -0.663 . . . . 3.31 110.229 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.22 -178.91 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 1.22 110.702 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' HG3' ' A' ' 28' ' ' ARG . 45.3 t -121.23 158.59 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 1.14 110.186 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 29' ' ' ILE . 23.6 mt -127.04 131.29 71.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.454 -0.794 . . . . 1.73 109.598 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.689 ' CE2' HG13 ' A' ' 58' ' ' VAL . 27.7 m-85 -111.89 149.58 31.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.258 0.552 . . . . 1.49 111.064 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.1 ttpm? -125.56 138.78 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 2.95 109.631 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -103.85 -172.29 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 1.89 110.392 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -3.55 49.68 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.942 -0.572 . . . . 3.19 111.614 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -94.31 19.25 9.73 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.705 -0.398 . . . . 2.68 111.267 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.73 32.47 22.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.021 0.439 . . . . 2.57 110.866 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -121.57 147.23 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.983 -0.553 . . . . 3.49 110.496 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -112.91 155.12 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 2.28 110.468 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.2 mt -142.09 159.57 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.382 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.6 m -91.91 139.75 30.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.65 . . . . 1.82 110.317 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.503 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -144.15 144.37 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.706 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.677 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.2 t0 -89.97 144.97 32.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.795 -0.639 . . . . 2.22 109.865 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.23 0.97 9.58 Favored 'Trans proline' 0 N--CA 1.477 0.51 0 C-N-CA 121.505 1.47 . . . . 1.21 113.55 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 24.11 13.42 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.641 -0.424 . . . . 3.39 110.838 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 58' ' ' VAL . 2.0 ttmt -100.41 169.61 8.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.05 0.452 . . . . 2.31 110.46 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -83.31 -47.66 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.578 . . . . 3.69 110.767 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.461 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.2 p-90 -74.75 -27.45 60.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 1.33 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 ' CE2' ' A' ' 41' ' ' PHE . 47.8 t -75.31 -41.55 43.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 109.245 -0.65 . . . . 0.97 109.245 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.23 -47.01 86.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.636 -0.711 . . . . 2.67 109.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -32.83 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.453 -0.794 . . . . 1.87 109.19 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -65.71 -52.81 48.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.438 -0.801 . . . . 1.05 110.474 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 ptm -63.27 -39.76 95.5 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.403 -0.519 . . . . 1.92 110.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -68.79 -36.23 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.431 0.634 . . . . 2.73 109.552 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD2' HD22 ' A' ' 20' ' ' LEU . 28.3 t80 -63.0 -52.63 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.184 -0.917 . . . . 1.59 109.683 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 26' ' ' TYR . 40.9 mt -65.59 -42.86 91.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 1.67 110.113 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.54 -33.05 74.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 1.95 110.223 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.802 -0.635 . . . . 3.11 110.546 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 121.103 0.478 . . . . 2.06 110.418 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -114.64 -39.13 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 2.43 110.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -87.65 88.51 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 3.12 110.551 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD13 ' CG ' ' A' ' 52' ' ' ASP . 19.8 mt -62.39 139.86 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.859 -0.61 . . . . 1.94 110.359 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 138.48 49.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 1.66 110.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -99.6 -33.59 10.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.85 -0.614 . . . . 2.95 110.33 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -77.24 139.15 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.666 -0.697 . . . . 4.27 110.247 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 20.2 mttt -72.67 130.56 40.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 3.18 110.534 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 65.8 mt -89.82 139.93 27.77 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.891 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -76.87 157.78 34.89 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.311 1.341 . . . . 1.63 112.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 49.5 mt -80.52 -46.67 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 1.43 111.224 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.13 -28.95 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.634 . . . . 2.31 111.351 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.92 -12.7 38.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 4.07 111.544 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -75.9 145.32 40.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.264 0.554 . . . . 1.58 111.079 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -117.0 -40.59 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.383 -0.826 . . . . 3.03 110.211 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 p -179.35 158.78 0.88 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.831 -0.622 . . . . 2.07 109.952 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 19.2 p90 -120.04 161.54 20.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.152 0.501 . . . . 1.74 110.911 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -140.95 93.81 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 3.6 110.249 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.759 ' HG3' HG22 ' A' ' 39' ' ' VAL . 53.0 ttp180 -76.36 147.6 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.529 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 40' ' ' ILE . 44.4 mt -118.13 130.53 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.674 -0.694 . . . . 1.7 110.297 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 37' ' ' LYS . 6.1 m -164.91 32.43 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.435 -0.802 . . . . 2.31 110.225 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -71.91 -60.81 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.833 -0.621 . . . . 3.47 110.765 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.99 -22.37 0.99 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.322 -0.711 . . . . 2.68 111.322 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -69.23 -31.14 69.5 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.942 0.401 . . . . 5.35 110.484 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -82.41 151.37 65.51 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.494 . . . . 2.1 110.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.08 -25.95 3.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 121.85 1.7 . . . . 2.27 112.808 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -127.23 135.75 51.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 3.28 110.607 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 30' ' ' THR . 5.5 tttt -85.63 95.14 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.821 -0.627 . . . . 3.31 110.182 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 -177.75 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.52 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.759 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.4 t -125.2 158.1 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.788 -0.642 . . . . 1.14 110.405 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 29' ' ' ILE . 37.9 mt -128.88 130.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 1.73 109.718 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.2 m-85 -109.53 147.48 32.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 1.49 110.751 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -125.21 127.98 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 2.95 109.861 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -89.88 -176.62 4.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.659 -0.7 . . . . 1.89 110.373 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.96 -0.18 34.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.986 -0.552 . . . . 3.19 111.708 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.51 19.96 9.05 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.691 -0.404 . . . . 2.68 111.228 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.92 36.61 21.75 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 2.57 110.736 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -126.22 157.86 37.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 3.49 110.465 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.14 154.44 37.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.867 -0.606 . . . . 2.28 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.4 mt -142.85 159.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 2.11 110.352 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 63.5 m -93.9 140.58 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.82 110.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.8 154.41 43.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.23 110.91 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.65 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.91 149.29 36.69 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.549 -0.75 . . . . 2.22 109.798 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -80.72 4.85 6.58 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 121.599 1.532 . . . . 1.21 113.656 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -110.32 19.15 19.15 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.609 -0.436 . . . . 3.39 111.107 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 10.1 mptt -100.74 155.53 17.85 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.073 0.463 . . . . 2.31 110.372 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -76.01 -31.95 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 3.69 110.69 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.59 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.1 p-90 -84.46 -27.15 27.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 1.33 110.496 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 52' ' ' ASP . 98.8 t -74.59 -44.15 47.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.283 -0.636 . . . . 0.97 109.283 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.04 -47.68 85.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 2.67 109.714 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -33.37 75.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.371 -0.831 . . . . 1.87 109.327 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.69 -52.94 47.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.572 -0.74 . . . . 1.05 110.132 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.437 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 19.7 ttp -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.813 -0.63 . . . . 1.92 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -41.87 74.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 2.73 109.917 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 56.4 t80 -62.09 -39.94 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.334 -0.848 . . . . 1.59 109.884 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 65' ' ' LEU . 55.0 mt -74.43 -38.01 63.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.411 0.624 . . . . 1.67 109.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.74 -34.45 77.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.049 -0.978 . . . . 1.95 110.93 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.418 0.525 . . . . 3.11 112.418 -179.355 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 121.092 0.472 . . . . 2.06 110.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 60.81 30.86 19.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.835 -0.62 . . . . 2.43 110.697 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -174.89 83.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 3.12 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 52' ' ' ASP . 29.9 mt -67.92 146.14 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 1.94 110.423 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.5 140.04 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 1.66 110.463 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.92 -37.03 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 2.95 110.223 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -75.12 115.75 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 4.27 110.153 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -59.08 132.7 54.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 3.18 110.846 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.7 mt -89.87 139.86 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.749 -0.659 . . . . 1.44 109.999 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -78.18 158.67 30.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.472 1.448 . . . . 1.63 112.961 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.1 mt -80.63 -42.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.311 -0.859 . . . . 1.43 111.128 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -58.68 -29.36 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.097 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -93.9 -10.2 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 4.07 111.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -72.87 145.84 46.61 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.339 0.59 . . . . 1.58 111.031 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -116.85 -42.0 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.359 -0.837 . . . . 3.03 109.997 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p 179.76 159.02 0.73 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.715 -0.675 . . . . 2.07 110.057 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 5.7 p90 -122.01 160.95 23.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.065 0.46 . . . . 1.74 110.64 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 40' ' ' ILE . 5.2 tpm_? -138.58 112.46 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.929 -0.578 . . . . 3.6 110.563 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -93.8 146.82 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.737 -0.665 . . . . 2.51 110.29 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.74 136.31 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.618 -0.719 . . . . 1.7 110.218 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 ' HD2' ' A' ' 37' ' ' LYS . 1.9 m -157.98 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.31 110.605 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -80.15 -172.58 3.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 3.47 110.376 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.88 43.92 1.98 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.656 -0.978 . . . . 2.68 110.656 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -121.03 -65.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.147 0.499 . . . . 5.35 110.509 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.0 150.13 94.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.691 -0.686 . . . . 2.1 110.419 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -82.87 -30.06 1.1 Allowed 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 121.872 1.714 . . . . 2.27 112.664 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -120.9 101.39 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 3.28 110.423 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG23 ' A' ' 30' ' ' THR . 2.0 pttp -61.6 108.02 0.9 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 3.31 110.376 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.55 -178.44 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 1.22 110.606 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -121.41 158.55 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 1.14 110.206 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.0 mp -134.77 130.29 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.342 -0.845 . . . . 1.73 109.708 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.706 ' HE2' HG13 ' A' ' 58' ' ' VAL . 55.5 m-85 -109.04 148.66 30.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.316 0.579 . . . . 1.49 111.187 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.728 ' O ' HD23 ' A' ' 23' ' ' LEU . 9.7 ttpt -121.15 140.75 51.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.297 -0.865 . . . . 2.95 109.657 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -107.81 -167.5 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.466 -0.788 . . . . 1.89 110.1 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.02 26.39 4.71 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.38 -0.373 . . . . 3.19 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.28 19.99 12.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.333 -0.394 . . . . 2.68 110.92 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 34.14 20.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.113 0.482 . . . . 2.57 110.654 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -128.41 150.19 50.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 3.49 110.534 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.668 ' C ' HD12 ' A' ' 49' ' ' ILE . 1.1 m-20 -122.47 145.37 48.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.174 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -136.73 158.56 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 2.11 109.993 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.491 ' N ' HG22 ' A' ' 49' ' ' ILE . 30.3 m -95.02 149.91 20.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.253 -0.885 . . . . 1.82 110.388 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -144.87 156.98 44.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.669 -0.696 . . . . 1.23 110.808 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.67 148.09 35.01 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.643 -0.708 . . . . 2.22 109.879 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.02 3.56 7.5 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 121.627 1.551 . . . . 1.21 113.626 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -110.25 19.09 19.25 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.657 -0.417 . . . . 3.39 111.095 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -100.7 161.88 13.3 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 2.31 110.485 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -81.0 -43.02 20.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.62 . . . . 3.69 110.65 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.7 p-90 -73.64 -28.96 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 1.33 110.245 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' HE2' ' A' ' 41' ' ' PHE . 87.0 t -73.68 -41.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.229 -0.656 . . . . 0.97 109.229 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.02 -46.4 89.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.67 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 1.87 109.229 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.5 -54.52 31.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.321 -0.854 . . . . 1.05 110.299 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.3 ptm -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.03 -0.532 . . . . 1.92 110.268 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -66.7 -37.23 84.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.356 0.598 . . . . 2.73 109.843 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.1 t80 -63.6 -51.71 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.854 . . . . 1.59 109.782 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.4 mt -68.68 -40.21 80.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 1.67 109.857 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.33 -29.63 70.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.269 -0.878 . . . . 1.95 110.384 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 121.058 0.456 . . . . 3.11 110.385 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.102 0.477 . . . . 2.06 110.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -123.32 -40.2 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.743 -0.662 . . . . 2.43 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -70.87 70.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.389 0.614 . . . . 3.12 110.21 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.683 HD22 ' C ' ' A' ' 51' ' ' ALA . 20.6 mt -65.75 163.17 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.94 110.601 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.91 139.86 30.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.76 -0.654 . . . . 1.66 110.524 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.33 -35.44 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 2.95 110.129 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -74.44 167.41 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 4.27 110.125 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -99.94 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.231 0.539 . . . . 3.18 110.553 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.3 mt -89.87 139.7 27.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.889 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -77.81 158.52 31.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.32 1.347 . . . . 1.63 112.813 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.6 mt -80.53 -40.06 26.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 1.43 110.888 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.66 -30.23 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.864 -0.607 . . . . 2.31 110.873 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ttp85 -92.49 -10.6 37.21 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.018 -0.537 . . . . 4.07 111.462 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.7 143.7 39.85 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.352 0.596 . . . . 1.58 111.001 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.45 -34.84 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.384 -0.826 . . . . 3.03 110.273 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 -173.2 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.876 -0.602 . . . . 2.07 109.766 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -151.85 153.38 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.109 0.48 . . . . 1.74 110.603 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 95.47 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 3.6 110.514 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 39' ' ' VAL . 21.1 ttp180 -73.77 147.66 43.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 2.51 110.193 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 40' ' ' ILE . 53.7 mt -130.64 136.34 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.704 -0.68 . . . . 1.7 110.354 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -171.92 35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.675 -0.693 . . . . 2.31 110.37 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -69.63 -172.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 3.47 110.503 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.3 -30.26 14.55 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.794 -0.922 . . . . 2.68 110.794 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.9 -36.0 75.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.058 0.456 . . . . 5.35 110.509 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 138.99 92.44 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.935 -0.575 . . . . 2.1 110.629 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -83.23 -33.7 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.638 1.559 . . . . 2.27 112.138 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -120.84 -172.7 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.42 -0.809 . . . . 3.28 110.097 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -129.67 137.67 50.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 3.31 110.359 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 -178.25 4.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.963 -0.562 . . . . 1.22 110.786 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 28' ' ' ARG . 61.9 t -135.37 159.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.627 -0.715 . . . . 1.14 110.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 49' ' ' ILE . 34.6 mt -130.09 130.11 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.73 109.951 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.5 m-85 -109.56 150.85 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.277 0.561 . . . . 1.49 110.982 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -129.49 128.05 42.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 2.95 109.788 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -89.78 -166.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.465 -0.789 . . . . 1.89 110.113 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -97.34 28.66 3.57 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.212 -0.449 . . . . 3.19 110.684 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 20.89 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.194 -0.457 . . . . 2.68 110.906 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 36.34 19.84 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.049 0.452 . . . . 2.57 110.675 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -131.83 152.21 51.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 3.49 110.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -119.36 154.51 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.817 -0.629 . . . . 2.28 110.335 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.5 mt -141.77 159.53 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 2.11 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 79.7 m -98.71 141.58 31.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.82 110.207 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.683 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -139.79 150.15 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.832 -0.622 . . . . 1.23 110.817 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 5.0 t0 -90.06 143.22 29.53 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.606 -0.724 . . . . 2.22 109.731 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.63 -0.19 10.51 Favored 'Trans proline' 0 N--CA 1.475 0.428 0 C-N-CA 121.494 1.462 . . . . 1.21 113.458 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -110.28 24.28 13.19 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.705 -0.398 . . . . 3.39 110.811 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 175.13 5.81 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.998 0.428 . . . . 2.31 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -89.1 -50.44 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.931 -0.577 . . . . 3.69 110.711 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.4 p-90 -71.04 -29.0 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 1.33 110.14 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.689 HG11 ' O ' ' A' ' 52' ' ' ASP . 53.9 t -72.1 -40.13 66.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.167 -0.679 . . . . 0.97 109.167 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.36 -41.51 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 2.67 109.408 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -33.66 71.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.492 -0.776 . . . . 1.87 109.082 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -68.26 -54.04 20.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.424 -0.807 . . . . 1.05 110.338 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -63.91 -34.88 78.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.085 -0.507 . . . . 1.92 110.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -72.61 -36.79 68.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.503 0.668 . . . . 2.73 109.317 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.846 ' CD2' HD22 ' A' ' 20' ' ' LEU . 27.9 t80 -62.68 -52.32 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.042 -0.981 . . . . 1.59 109.717 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 26' ' ' TYR . 74.6 mt -64.59 -41.26 96.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.714 -0.675 . . . . 1.67 110.135 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -34.54 76.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.306 -0.861 . . . . 1.95 110.226 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.859 -0.609 . . . . 3.11 111.653 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.189 0 CA-C-O 121.163 0.506 . . . . 2.06 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.71 163.73 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.83 -0.623 . . . . 2.43 109.923 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.43 65.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.657 0.742 . . . . 3.12 109.158 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 52' ' ' ASP . 13.3 mt -52.98 143.23 17.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.07 -0.968 . . . . 1.94 111.228 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -58.87 138.55 57.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.391 -0.822 . . . . 1.66 110.896 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -105.46 -33.94 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.672 -0.695 . . . . 2.95 110.09 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -79.89 127.43 32.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.703 -0.68 . . . . 4.27 110.133 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 15.1 mttm -61.49 130.48 46.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.593 . . . . 3.18 110.659 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.6 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 67.7 mt -89.9 140.08 27.66 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.574 -0.739 . . . . 1.44 109.831 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -76.74 155.88 35.17 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.423 1.416 . . . . 1.63 113.174 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.1 mt -80.83 -47.47 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.091 -0.959 . . . . 1.43 111.269 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -55.81 -29.01 59.06 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.772 -0.649 . . . . 2.31 111.353 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -89.85 -13.69 35.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 4.07 111.464 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.6 mt -71.14 145.65 49.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.362 0.601 . . . . 1.58 111.095 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -117.32 -41.67 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.242 -0.89 . . . . 3.03 110.055 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 t 179.78 154.33 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.707 -0.678 . . . . 2.07 109.96 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -118.43 158.9 24.43 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.137 0.494 . . . . 1.74 110.672 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -135.32 110.35 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.641 . . . . 3.6 110.312 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -79.17 142.02 36.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 2.51 110.523 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 40' ' ' ILE . 46.4 mt -115.88 133.24 62.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.439 -0.801 . . . . 1.7 110.19 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -170.0 34.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.638 -0.71 . . . . 2.31 110.316 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -169.64 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.724 -0.671 . . . . 3.47 110.461 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.42 -15.42 40.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.917 -0.583 . . . . 2.68 111.708 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -96.78 26.85 4.26 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.733 -0.387 . . . . 5.35 111.158 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.23 130.41 23.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.691 -0.404 . . . . 2.1 109.939 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -84.84 -26.42 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 121.607 1.538 . . . . 2.27 112.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -125.48 98.98 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.792 -0.64 . . . . 3.28 110.546 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -66.25 154.02 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.903 -0.589 . . . . 3.31 110.367 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.15 -173.8 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 1.22 110.517 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 61.2 t -119.43 159.44 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.904 -0.589 . . . . 1.14 110.029 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -127.32 142.37 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 1.73 109.642 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.5 m-85 -122.83 147.41 46.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.424 0.631 . . . . 1.49 111.098 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.734 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.5 tttt -124.3 140.69 52.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 2.95 109.699 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.3 p -108.04 -164.23 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.474 -0.785 . . . . 1.89 109.904 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -97.05 29.09 3.24 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.901 0.381 . . . . 3.19 110.789 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.79 18.84 9.43 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.24 -0.436 . . . . 2.68 111.045 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.01 19.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.207 0.527 . . . . 2.57 110.745 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -134.24 154.65 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 3.49 110.613 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.682 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.4 m-20 -123.57 149.57 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.663 -0.699 . . . . 2.28 110.494 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 48' ' ' ASP . 37.8 mm -136.71 151.6 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 2.11 110.181 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -88.6 143.27 27.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.911 -0.586 . . . . 1.82 110.248 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.32 160.2 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.75 -0.659 . . . . 1.23 110.564 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.687 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -115.86 155.03 48.23 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 2.22 109.904 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.29 4.21 6.79 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 121.71 1.607 . . . . 1.21 113.576 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 10.79 40.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.66 -0.416 . . . . 3.39 111.274 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.52 154.8 18.25 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.041 0.448 . . . . 2.31 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 3.69 110.603 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.6 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -78.61 -27.22 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 1.33 110.482 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.687 HG11 ' O ' ' A' ' 52' ' ' ASP . 94.4 t -74.43 -42.23 49.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.039 -0.726 . . . . 0.97 109.039 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.21 -48.14 81.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.735 . . . . 2.67 109.644 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -34.16 77.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.367 -0.833 . . . . 1.87 109.409 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -65.25 -52.75 52.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.393 -0.821 . . . . 1.05 110.132 179.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.86 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.809 -0.632 . . . . 1.92 110.257 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.8 -38.78 89.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 2.73 109.764 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.4 t80 -64.4 -51.48 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.281 -0.872 . . . . 1.59 109.581 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.9 mt -65.7 -40.73 92.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 1.67 110.012 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.15 -38.15 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.299 -0.864 . . . . 1.95 110.232 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.761 -0.654 . . . . 3.11 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 121.154 0.502 . . . . 2.06 110.32 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -119.21 153.06 35.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 2.43 110.117 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.33 82.66 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.12 110.21 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 52' ' ' ASP . 24.7 mt -61.06 140.26 57.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.94 110.559 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 145.08 56.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.679 -0.691 . . . . 1.66 110.439 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -100.19 -58.6 1.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 2.95 110.181 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -63.15 127.02 29.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.658 -0.701 . . . . 4.27 110.106 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.07 140.05 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 3.18 110.863 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.431 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 69.3 mt -89.81 139.7 27.75 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.547 -0.751 . . . . 1.44 109.702 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.0 Cg_endo -74.65 156.48 44.56 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.294 1.329 . . . . 1.63 112.957 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.4 mt -80.46 -43.38 20.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.144 -0.935 . . . . 1.43 111.242 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -58.78 -29.5 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 2.31 111.013 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -89.77 -14.1 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 4.07 111.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 65' ' ' LEU . 5.1 mt -72.65 146.44 46.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.495 0.664 . . . . 1.58 111.281 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -120.71 -41.79 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.132 -0.94 . . . . 3.03 110.199 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.63 156.32 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.589 . . . . 2.07 109.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 18.5 p90 -119.97 171.04 8.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.171 0.51 . . . . 1.74 110.86 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -149.13 112.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.679 . . . . 3.6 110.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.707 ' HG3' HG22 ' A' ' 39' ' ' VAL . 32.7 ttp180 -87.16 149.73 24.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.886 -0.597 . . . . 2.51 110.534 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 40' ' ' ILE . 55.7 mt -118.87 138.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.604 -0.726 . . . . 1.7 110.302 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.2 28.27 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.76 -0.655 . . . . 2.31 110.422 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -76.33 174.38 10.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.236 0.541 . . . . 3.47 110.675 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.88 -22.46 20.6 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.227 -0.749 . . . . 2.68 111.227 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -69.46 -30.19 68.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.847 0.356 . . . . 5.35 110.683 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.6 m -77.74 153.11 80.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.205 -0.452 . . . . 2.1 110.268 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.88 -23.24 3.89 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 121.931 1.754 . . . . 2.27 113.152 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.35 162.56 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.322 0.582 . . . . 3.28 111.053 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -101.13 116.84 33.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.338 -0.847 . . . . 3.31 110.035 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.11 -178.39 5.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.15 0.5 . . . . 1.22 110.951 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.707 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.2 t -125.13 158.85 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.561 -0.745 . . . . 1.14 110.261 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 29' ' ' ILE . 1.3 mp -127.19 130.89 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.497 -0.774 . . . . 1.73 109.417 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.4 m-85 -109.29 147.99 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.405 0.621 . . . . 1.49 110.739 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -126.98 130.58 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.859 . . . . 2.95 109.85 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.3 p -90.66 -166.41 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.67 . . . . 1.89 109.825 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -97.58 29.26 3.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 3.19 110.779 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -124.57 21.75 8.45 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.206 -0.452 . . . . 2.68 110.902 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.21 35.18 18.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.128 0.49 . . . . 2.57 110.556 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -125.66 151.13 46.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.03 152.52 38.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.889 -0.596 . . . . 2.28 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 50' ' ' CYS . 56.0 mt -142.49 159.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.649 -0.705 . . . . 2.11 110.067 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 49' ' ' ILE . 24.7 m -95.18 149.86 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 1.82 110.423 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' HD2' ' A' ' 41' ' ' PHE . . . -150.74 155.68 39.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.727 -0.67 . . . . 1.23 110.713 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.66 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -106.2 146.96 34.0 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.706 -0.679 . . . . 2.22 109.786 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -80.36 6.17 5.56 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 121.668 1.579 . . . . 1.21 113.586 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -109.59 17.21 21.58 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.69 -0.404 . . . . 3.39 111.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -100.58 163.03 12.53 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.061 0.458 . . . . 2.31 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -80.57 -39.57 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.858 -0.61 . . . . 3.69 110.589 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.466 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.1 p-90 -77.62 -27.65 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 1.33 110.559 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 52' ' ' ASP . 99.7 t -75.89 -41.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.127 -0.694 . . . . 0.97 109.127 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -61.87 -47.54 84.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.696 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.4 80.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 1.87 109.322 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -63.83 -50.79 67.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.348 -0.842 . . . . 1.05 110.176 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.03 -44.16 97.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.802 -0.635 . . . . 1.92 110.453 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.359 0.6 . . . . 2.73 109.74 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD2' HD22 ' A' ' 20' ' ' LEU . 81.4 t80 -63.4 -49.72 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.24 -0.891 . . . . 1.59 109.652 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 23' ' ' LEU . 82.4 mt -67.87 -42.7 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.654 . . . . 1.67 109.966 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.77 -26.94 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.257 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 116.009 -0.541 . . . . 3.11 112.06 -179.744 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 121.164 0.507 . . . . 2.06 110.205 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -105.14 156.42 18.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.24 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 61.21 81.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 3.12 110.421 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.603 HD13 ' CG ' ' A' ' 52' ' ' ASP . 13.8 mt -63.4 140.11 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 1.94 110.285 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 137.76 57.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.64 . . . . 1.66 110.529 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -34.7 10.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.912 -0.586 . . . . 2.95 109.973 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.58 147.51 41.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 4.27 110.209 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -83.75 126.73 33.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 3.18 110.562 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.6 mt -89.66 139.93 28.01 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.56 -0.746 . . . . 1.44 109.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -75.92 156.45 38.94 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.325 1.35 . . . . 1.63 112.939 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 23' ' ' LEU . 73.1 mt -80.7 -38.32 29.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.187 -0.915 . . . . 1.43 111.171 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -58.95 -30.65 68.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 2.31 111.1 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -90.02 -12.4 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 4.07 111.52 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 20' ' ' LEU . 7.7 mt -74.49 147.22 42.1 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.479 0.657 . . . . 1.58 111.244 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -118.69 -40.39 2.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.205 -0.907 . . . . 3.03 110.303 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -175.72 160.91 2.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.829 -0.623 . . . . 2.07 109.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.4 p90 -127.31 163.21 24.46 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.478 -0.489 . . . . 1.74 110.839 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.714 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -140.18 107.57 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 3.6 110.385 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' CG ' HG22 ' A' ' 39' ' ' VAL . 4.9 ttm180 -91.9 142.53 27.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.608 . . . . 2.51 110.415 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' THR . 54.7 mt -123.06 144.78 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 1.7 110.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -162.44 31.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 2.31 110.477 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -78.43 -172.29 2.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.549 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.94 37.75 3.66 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -118.82 -42.89 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 5.35 110.407 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -73.11 159.23 85.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 115.745 -0.661 . . . . 2.1 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.37 -26.59 3.22 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.797 1.665 . . . . 2.27 112.572 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.43 138.82 25.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.463 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.7 154.82 41.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.823 -0.626 . . . . 3.31 110.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.02 -177.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.579 . . . . 1.22 110.546 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 40' ' ' ILE . 38.9 t -133.05 159.59 43.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 1.14 110.206 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.5 mp -128.46 130.47 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.775 . . . . 1.73 109.661 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.65 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.8 m-85 -109.24 149.07 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.381 0.61 . . . . 1.49 111.177 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.3 mttt -125.33 131.59 53.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.219 -0.9 . . . . 2.95 109.782 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 p -99.23 -165.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 1.89 109.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.67 29.51 3.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.929 0.395 . . . . 3.19 110.697 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.98 18.76 10.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.143 -0.48 . . . . 2.68 111.081 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.6 33.66 22.09 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.026 0.441 . . . . 2.57 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -132.06 146.05 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.061 -0.518 . . . . 3.49 110.488 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.84 156.41 23.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.635 . . . . 2.28 110.326 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.9 mt -141.84 159.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.8 -0.636 . . . . 2.11 110.26 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 49' ' ' ILE . 90.9 m -91.51 144.74 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.47 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.75 148.11 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 1.23 110.564 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.717 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -96.35 146.94 32.19 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.742 -0.663 . . . . 2.22 109.81 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -80.29 4.67 6.62 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 121.585 1.524 . . . . 1.21 113.458 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -109.54 15.56 22.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.771 -0.372 . . . . 3.39 111.113 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.29 161.45 13.59 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.042 0.449 . . . . 2.31 110.085 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -72.96 -61.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 3.69 110.791 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CE2' HG23 ' A' ' 58' ' ' VAL . 59.5 p-90 -57.3 -30.92 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 1.33 110.611 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.6 t -72.18 -37.84 60.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.814 -0.81 . . . . 0.97 108.814 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -66.12 -46.55 77.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.515 -0.766 . . . . 2.67 109.355 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.06 -32.23 72.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.428 -0.805 . . . . 1.87 109.138 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 7.4 m -64.69 -53.99 38.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.543 -0.753 . . . . 1.05 110.43 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 ptm -63.3 -41.35 98.94 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 1.92 110.383 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.92 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.299 0.571 . . . . 2.73 109.781 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' CD2' HD22 ' A' ' 20' ' ' LEU . 52.5 t80 -64.59 -52.87 55.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.375 -0.83 . . . . 1.59 109.588 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' LEU . 52.2 mt -65.5 -39.79 92.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.545 -0.752 . . . . 1.67 110.006 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.429 -0.805 . . . . 1.95 110.045 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 CA--C 1.535 0.366 0 CA-C-N 115.757 -0.656 . . . . 3.11 111.617 179.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 121.136 0.493 . . . . 2.06 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -97.57 -33.25 11.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.718 -0.674 . . . . 2.43 110.457 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -90.13 76.7 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.78 -0.646 . . . . 3.12 110.429 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 52' ' ' ASP . 28.0 mt -62.94 140.2 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 1.94 110.373 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.65 140.2 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 1.66 110.245 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -93.75 -55.91 3.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.895 -0.593 . . . . 2.95 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -63.31 170.61 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.026 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -98.12 139.24 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 3.18 110.506 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 60.6 mt -89.9 139.62 27.6 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 115.698 -0.683 . . . . 1.44 109.865 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.95 155.42 34.05 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 121.382 1.388 . . . . 1.63 112.92 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.4 mt -80.94 -44.58 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.228 -0.896 . . . . 1.43 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.87 -29.39 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.151 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.76 -12.46 31.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.241 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.9 mt -70.41 140.86 52.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.203 0.525 . . . . 1.58 110.796 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.54 -36.82 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.483 -0.781 . . . . 3.03 110.149 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -176.41 -177.7 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.669 -0.696 . . . . 2.07 109.802 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.7 p90 -150.57 153.21 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.14 0.495 . . . . 1.74 110.706 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -134.01 119.82 19.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.684 -0.689 . . . . 3.6 110.573 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 39' ' ' VAL . 8.9 tmm_? -101.12 147.98 25.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 2.51 110.33 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.91 144.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.716 -0.675 . . . . 1.7 110.388 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.4 m -163.83 31.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.31 110.447 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -80.8 -172.36 3.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.927 -0.579 . . . . 3.47 110.498 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -103.29 32.15 7.9 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.807 -0.917 . . . . 2.68 110.807 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.38 -37.5 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.105 0.478 . . . . 5.35 110.428 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 m -86.9 155.34 55.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 2.1 110.385 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.35 -27.84 2.62 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.861 1.708 . . . . 2.27 112.569 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.77 124.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 3.28 110.371 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -60.68 162.02 7.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.853 -0.612 . . . . 3.31 110.513 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 -177.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 1.22 110.513 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -130.05 158.66 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.758 -0.655 . . . . 1.14 110.141 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 47.8 mt -127.85 130.61 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.323 -0.853 . . . . 1.73 109.534 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -109.07 148.34 30.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.261 0.553 . . . . 1.49 110.866 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.4 ttmt -122.7 138.49 54.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.471 -0.786 . . . . 2.95 109.751 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -104.01 -166.82 1.29 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.336 -0.847 . . . . 1.89 109.962 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.49 29.07 3.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 3.19 110.684 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 19.47 10.11 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.256 -0.429 . . . . 2.68 111.041 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 37.06 21.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.176 0.512 . . . . 2.57 110.662 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -130.68 152.29 50.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.49 110.581 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.671 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.4 m-20 -118.56 146.94 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.71 -0.677 . . . . 2.28 110.241 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 48' ' ' ASP . 40.2 mm -135.03 144.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 2.11 110.426 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.0 m -82.79 145.14 29.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.816 -0.629 . . . . 1.82 110.148 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.01 140.5 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.6 . . . . 1.23 110.703 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.7 p-10 -91.74 150.48 40.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 2.22 110.071 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 10.15 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.526 0 C-N-CA 121.735 1.623 . . . . 1.21 113.741 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 13.77 22.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.411 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.72 152.31 20.62 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.479 -0.488 . . . . 2.31 110.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -72.54 -31.71 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.665 . . . . 3.69 110.998 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.474 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.2 p-90 -83.89 -27.89 28.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.436 -0.505 . . . . 1.33 110.257 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.3 t -75.07 -46.73 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.375 -0.602 . . . . 0.97 109.375 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -39.12 88.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.824 -0.625 . . . . 2.67 109.942 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -34.72 67.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.063 -0.717 . . . . 1.87 109.063 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.2 m -64.82 -51.77 60.36 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.32 -0.855 . . . . 1.05 110.205 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -63.51 -41.82 98.5 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.249 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -64.62 -36.02 82.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 2.73 109.801 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.9 t80 -62.83 -54.82 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.358 -0.837 . . . . 1.59 109.743 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 75.9 mt -64.8 -41.09 96.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.59 -0.732 . . . . 1.67 109.953 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.37 -34.7 77.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 1.95 110.019 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 CA--C 1.534 0.343 0 CA-C-N 115.723 -0.671 . . . . 3.11 111.469 179.793 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.192 0.52 . . . . 2.06 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -116.39 -39.53 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 2.43 110.436 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.15 91.6 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.619 . . . . 3.12 110.478 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 52' ' ' ASP . 18.9 mt -77.14 140.61 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.94 110.497 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.92 146.1 55.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 1.66 110.589 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -107.43 -37.08 6.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.65 . . . . 2.95 110.296 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.17 129.07 34.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 4.27 110.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 1.2 pttp -61.45 138.66 58.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 3.18 110.653 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.451 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.9 mt -96.98 140.1 21.91 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.573 -0.739 . . . . 1.44 109.923 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -78.02 157.6 30.62 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.349 1.366 . . . . 1.63 112.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.883 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.8 mt -80.68 -42.91 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 1.43 111.132 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.4 -29.73 66.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.086 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -91.44 -12.82 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.369 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -73.8 145.54 44.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.346 0.593 . . . . 1.58 111.083 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.06 -41.27 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.03 110.15 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -169.89 -177.03 2.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.934 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.67 148.47 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.29 0.567 . . . . 1.74 110.809 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.88 108.96 14.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 3.6 110.177 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -80.53 145.01 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.404 0.621 . . . . 2.51 110.649 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 40' ' ' ILE . 1.8 mm -104.67 -158.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.284 -0.871 . . . . 1.7 108.654 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.53 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 73.78 29.26 1.5 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.971 0.415 . . . . 2.31 110.347 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 t -75.96 -32.71 59.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 3.47 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.42 -31.2 2.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.774 -0.931 . . . . 2.68 110.774 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -32.64 61.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 5.35 110.89 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.74 149.16 63.35 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.059 -0.518 . . . . 2.1 110.482 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -83.52 -29.11 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.862 1.708 . . . . 2.27 112.822 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -113.91 174.46 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 3.28 110.784 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -108.74 140.07 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.611 -0.722 . . . . 3.31 110.123 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.25 -173.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.182 0.515 . . . . 1.22 110.978 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 93.2 t -144.46 159.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.474 -0.784 . . . . 1.14 109.592 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 29' ' ' ILE . 37.1 mt -127.73 134.41 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 1.73 109.602 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.5 m-85 -112.89 148.57 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.275 0.56 . . . . 1.49 110.955 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.782 ' O ' HD23 ' A' ' 23' ' ' LEU . 42.2 tttp -123.53 138.52 54.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.392 -0.822 . . . . 2.95 109.853 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.8 p -101.64 -169.75 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.396 -0.82 . . . . 1.89 110.142 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -98.48 29.34 3.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.763 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.21 22.2 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 2.68 110.899 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 45.68 9.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.329 0.585 . . . . 2.57 110.606 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.59 152.27 45.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.757 -0.656 . . . . 3.49 110.45 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -122.47 152.28 40.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 2.28 110.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.7 mt -137.93 159.76 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 2.11 110.223 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 96.1 m -98.18 144.51 27.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 1.82 110.413 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -147.03 153.03 39.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 1.23 110.814 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.646 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -102.34 145.83 31.22 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.603 -0.726 . . . . 2.22 109.75 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.44 1.67 8.54 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 121.512 1.474 . . . . 1.21 113.701 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -100.82 13.49 34.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.621 -0.432 . . . . 3.39 111.149 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -100.68 156.63 17.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.113 0.482 . . . . 2.31 110.387 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.26 -37.55 60.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.87 -0.604 . . . . 3.69 110.919 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.52 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.8 p-90 -79.09 -29.15 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 1.33 110.45 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.5 t -74.28 -41.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.443 -0.577 . . . . 0.97 109.443 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -63.04 -46.26 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 2.67 109.711 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -35.69 79.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.539 -0.755 . . . . 1.87 109.341 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -65.06 -50.62 65.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.341 -0.845 . . . . 1.05 110.042 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.3 ttm -62.92 -45.04 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 1.92 110.098 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -64.47 -34.58 78.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.809 -0.632 . . . . 2.73 109.708 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.883 ' CD2' HD22 ' A' ' 20' ' ' LEU . 36.5 t80 -62.92 -53.81 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 1.59 109.978 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 26' ' ' TYR . 51.1 mt -65.15 -40.57 94.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.445 0.64 . . . . 1.67 110.03 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.81 -31.65 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.14 -0.936 . . . . 1.95 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.333 -0.135 0 CA-C-N 116.034 -0.53 . . . . 3.11 110.505 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.247 0.546 . . . . 2.06 110.787 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.14 -46.92 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.568 -0.742 . . . . 2.43 110.338 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.06 86.04 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 3.12 110.319 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 52' ' ' ASP . 24.2 mt -69.57 140.93 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.721 -0.672 . . . . 1.94 110.411 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 142.94 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.655 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -105.18 -35.89 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 2.95 110.212 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -82.59 129.46 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.677 . . . . 4.27 110.113 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 6.4 pttt -61.2 142.16 56.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 3.18 110.858 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.1 mt -97.12 140.06 21.86 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.546 -0.752 . . . . 1.44 109.847 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.83 155.61 30.76 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.346 1.364 . . . . 1.63 112.94 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 64' ' ' TYR . 40.5 mt -80.85 -40.66 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.249 -0.887 . . . . 1.43 110.974 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -58.74 -30.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.31 111.03 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -94.33 -10.16 33.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.527 . . . . 4.07 111.335 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.3 mt -74.43 142.09 44.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.35 0.595 . . . . 1.58 110.994 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.46 -40.77 3.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.371 -0.831 . . . . 3.03 110.056 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 t -178.79 163.1 1.39 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.73 -0.668 . . . . 2.07 109.767 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -125.92 153.23 44.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.265 0.555 . . . . 1.74 111.062 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -127.56 107.36 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 3.6 110.138 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -66.14 148.84 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 2.51 110.744 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 40' ' ' ILE . 50.0 mm -100.48 136.71 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.378 -0.828 . . . . 1.7 109.936 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t 174.8 62.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.589 -0.732 . . . . 2.31 109.862 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -59.99 -39.62 86.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 3.47 110.849 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.22 -60.39 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.595 -1.002 . . . . 2.68 110.595 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 32.68 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.507 . . . . 5.35 110.014 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.02 166.91 30.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 2.1 110.582 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -79.02 -32.52 1.82 Allowed 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 121.748 1.632 . . . . 2.27 112.443 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.37 135.77 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.789 -0.641 . . . . 3.28 110.711 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -68.57 172.15 6.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.817 -0.628 . . . . 3.31 110.059 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.52 -166.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 1.22 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 ' O ' HD13 ' A' ' 40' ' ' ILE . 45.6 t -141.22 158.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.237 0.541 . . . . 1.14 110.06 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.746 ' CG1' HD11 ' A' ' 29' ' ' ILE . 26.4 mm -128.3 146.53 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.536 -0.756 . . . . 1.73 109.566 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.685 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -126.58 148.44 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.375 0.607 . . . . 1.49 111.321 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.3 mttt -125.04 131.9 53.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.165 -0.925 . . . . 2.95 109.612 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 p -99.31 -163.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.81 -0.632 . . . . 1.89 110.045 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -93.18 21.27 6.07 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.499 -0.319 . . . . 3.19 111.311 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.56 18.96 14.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.925 -0.31 . . . . 2.68 111.027 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.42 32.79 22.02 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.982 0.42 . . . . 2.57 110.701 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -123.05 148.28 45.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.583 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.642 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -113.55 146.38 39.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.76 -0.655 . . . . 2.28 110.368 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.3 mm -132.28 155.81 41.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 2.11 110.422 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.0 m -94.08 140.67 29.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -146.97 148.87 32.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 1.23 110.808 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB3' HD13 ' A' ' 13' ' ' LEU . 4.2 p-10 -95.95 152.78 39.19 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.806 -0.634 . . . . 2.22 110.204 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.02 5.4 6.25 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 121.774 1.649 . . . . 1.21 113.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.29 19.03 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.563 -0.455 . . . . 3.39 111.25 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.7 mmtm -100.67 151.03 22.13 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.124 0.488 . . . . 2.31 110.305 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -72.73 -34.01 66.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.829 -0.623 . . . . 3.69 111.036 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.5 p-90 -84.1 -28.32 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.405 -0.518 . . . . 1.33 110.413 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.691 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.8 t -73.05 -45.09 55.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.26 -0.644 . . . . 0.97 109.26 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.25 -46.8 88.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.717 -0.674 . . . . 2.67 109.782 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -33.4 75.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.447 -0.797 . . . . 1.87 109.254 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -65.19 -54.83 23.63 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.406 -0.816 . . . . 1.05 110.312 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.438 ' CE ' HG12 ' A' ' 58' ' ' VAL . 24.4 ptp -61.36 -38.71 87.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 1.92 110.395 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.5 -37.28 84.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.282 0.563 . . . . 2.73 109.656 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.476 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.0 t80 -62.96 -54.75 33.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.319 -0.855 . . . . 1.59 109.628 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 79.1 mt -65.13 -40.71 94.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.76 . . . . 1.67 109.837 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.21 -29.01 68.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.851 . . . . 1.95 110.056 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.082 -0.508 . . . . 3.11 110.44 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.132 0.491 . . . . 2.06 110.765 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -124.06 31.91 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 2.43 110.122 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -159.01 82.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.759 -0.655 . . . . 3.12 110.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 52' ' ' ASP . 34.8 mt -64.98 140.48 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.676 . . . . 1.94 110.479 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.79 150.85 46.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.561 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.9 -48.55 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 2.95 110.384 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 121.33 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 4.27 110.148 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.13 138.15 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.722 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.407 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.4 mt -89.94 139.98 27.59 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 115.527 -0.761 . . . . 1.44 109.892 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.39 158.03 36.81 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 121.335 1.357 . . . . 1.63 112.799 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.3 mt -80.45 -43.76 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.43 111.192 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.35 -29.49 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 2.31 111.131 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -92.63 -12.44 31.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.449 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.82 146.41 49.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.502 0.667 . . . . 1.58 111.205 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -120.02 -42.1 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.087 -0.961 . . . . 3.03 110.191 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -178.93 158.88 0.98 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.796 -0.638 . . . . 2.07 109.864 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 15.5 p90 -122.14 158.49 29.2 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.554 -0.458 . . . . 1.74 110.709 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -136.42 109.22 7.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 3.6 110.449 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -87.02 149.69 24.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 2.51 110.546 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 40' ' ' ILE . 49.7 mt -116.07 153.98 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.68 -0.691 . . . . 1.7 110.205 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.8 m -164.01 34.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.879 -0.6 . . . . 2.31 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 137.88 58.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.47 110.583 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.63 -35.03 91.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 2.68 110.76 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -72.4 -29.16 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 5.35 110.65 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.0 148.7 69.55 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.127 -0.488 . . . . 2.1 110.511 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.9 -29.98 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.826 1.684 . . . . 2.27 112.55 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -147.05 144.31 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 3.28 110.39 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.8 OUTLIER -89.74 143.06 27.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 3.31 110.355 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.57 -177.35 6.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.22 110.386 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -126.58 158.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.376 0.608 . . . . 1.14 110.594 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 29' ' ' ILE . 49.5 mt -130.72 130.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.247 -0.888 . . . . 1.73 109.481 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.639 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.2 m-85 -108.37 147.83 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.413 0.625 . . . . 1.49 111.098 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.658 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.8 tttp -126.25 139.31 53.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.255 -0.884 . . . . 2.95 109.712 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -98.77 -166.34 1.35 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.316 -0.856 . . . . 1.89 109.865 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -98.23 30.17 3.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.965 0.412 . . . . 3.19 110.705 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -125.17 21.57 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.049 -0.523 . . . . 2.68 110.917 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.07 36.94 18.19 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.12 0.486 . . . . 2.57 110.603 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -128.6 151.16 49.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.595 . . . . 3.49 110.45 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.679 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 m-20 -124.69 148.14 48.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.368 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.5 mm -135.76 155.51 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 2.11 110.206 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 9.0 m -87.06 153.83 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 1.82 110.317 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.0 152.58 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 1.23 110.573 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.697 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -109.99 157.26 38.32 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.691 -0.686 . . . . 2.22 109.829 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.55 7.39 5.03 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 121.732 1.622 . . . . 1.21 113.6 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -105.02 10.89 33.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.413 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.9 mmtm -100.68 150.84 22.33 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.062 0.458 . . . . 2.31 110.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 3.69 110.623 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.4 p-90 -74.41 -27.51 60.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 1.33 110.568 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 52' ' ' ASP . 96.8 t -76.05 -39.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.189 -0.671 . . . . 0.97 109.189 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.1 -47.1 81.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.767 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.25 -35.02 78.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 1.87 109.353 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -65.78 -50.33 65.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.083 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.346 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.38 -38.79 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 2.73 109.814 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 20' ' ' LEU . 75.4 t80 -66.07 -48.84 69.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.341 -0.845 . . . . 1.59 109.755 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 65' ' ' LEU . 72.8 mt -66.61 -40.57 88.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.644 -0.707 . . . . 1.67 110.179 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -35.52 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.341 -0.845 . . . . 1.95 110.211 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 3.11 110.59 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.122 0.487 . . . . 2.06 110.639 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -118.98 -43.27 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 2.43 110.351 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -81.7 86.79 6.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 3.12 110.203 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 52' ' ' ASP . 44.2 mt -60.95 140.95 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.645 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.02 134.61 36.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.783 -0.644 . . . . 1.66 110.608 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -100.59 -31.78 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.685 -0.689 . . . . 2.95 110.218 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -72.13 121.68 19.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.885 -0.598 . . . . 4.27 110.505 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -58.01 136.63 57.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.702 -0.681 . . . . 3.18 110.734 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.5 mt -104.82 139.86 20.51 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.735 -0.666 . . . . 1.44 109.871 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -78.85 157.1 27.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.434 1.423 . . . . 1.63 113.086 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 64' ' ' TYR . 35.7 mt -80.78 -43.82 19.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.204 -0.907 . . . . 1.43 111.176 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.66 -29.42 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.799 -0.637 . . . . 2.31 111.138 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -90.33 -12.06 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 4.07 111.507 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -74.39 142.8 45.0 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.315 0.579 . . . . 1.58 110.913 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.66 -35.49 5.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.372 -0.831 . . . . 3.03 110.24 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -176.72 -171.72 0.4 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.88 -0.6 . . . . 2.07 109.914 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.1 p90 -153.62 152.48 30.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.192 0.52 . . . . 1.74 110.943 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 33.9 mtm-85 -128.48 119.44 24.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.553 -0.748 . . . . 3.6 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.567 ' HG3' HG22 ' A' ' 39' ' ' VAL . 31.7 ttt85 -107.0 148.27 28.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 2.51 110.38 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 30' ' ' THR . 42.7 mt -124.78 136.06 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 1.7 110.222 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 37' ' ' LYS . 4.8 p -159.41 30.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.792 -0.64 . . . . 2.31 110.496 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -74.68 -178.79 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 3.47 110.515 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.72 31.16 8.7 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.799 -0.92 . . . . 2.68 110.799 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -122.16 -44.34 2.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.172 0.511 . . . . 5.35 110.448 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.51 156.34 53.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 2.1 110.271 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.63 -26.79 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.871 1.714 . . . . 2.27 112.51 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.89 156.11 41.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.837 -0.62 . . . . 3.28 110.339 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -90.37 147.06 23.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.795 -0.639 . . . . 3.31 110.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.49 -177.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.602 . . . . 1.22 110.431 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' SD ' ' A' ' 62' ' ' MET . 41.3 t -132.19 158.44 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.767 -0.651 . . . . 1.14 110.479 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -132.66 130.68 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.685 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 58' ' ' VAL . 36.6 m-85 -109.2 147.93 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.196 0.522 . . . . 1.49 110.817 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 130.75 46.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.756 . . . . 2.95 110.01 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.0 p -89.75 -166.27 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.485 -0.779 . . . . 1.89 109.909 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -97.57 30.67 2.82 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.001 0.429 . . . . 3.19 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mt -126.45 21.39 7.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.07 -0.514 . . . . 2.68 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 37.66 18.02 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.148 0.499 . . . . 2.57 110.492 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -127.63 141.86 51.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.589 . . . . 3.49 110.463 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.1 m-20 -116.24 145.8 42.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.391 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.8 mm -135.04 153.77 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 2.11 110.228 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.58 143.28 26.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.387 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.6 143.17 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.382 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 12.0 p-10 -89.81 150.13 43.31 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.95 -0.568 . . . . 2.22 110.118 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -80.54 4.24 7.04 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 121.633 1.555 . . . . 1.21 113.486 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -110.16 22.19 15.86 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.609 -0.437 . . . . 3.39 111.097 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 7.7 mmtm -100.57 158.61 15.8 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.064 0.459 . . . . 2.31 110.17 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -77.15 -41.19 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.817 -0.629 . . . . 3.69 110.61 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 67.9 p-90 -80.1 -28.61 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 1.33 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 61.1 t -73.04 -42.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.192 -0.669 . . . . 0.97 109.192 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.87 -47.92 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 2.67 109.436 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -34.64 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.354 -0.839 . . . . 1.87 109.244 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -63.65 -52.19 61.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.396 -0.82 . . . . 1.05 110.032 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 39' ' ' VAL . 50.6 mtm -60.4 -45.3 94.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.774 -0.648 . . . . 1.92 110.394 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.99 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 2.73 109.799 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.842 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.4 t80 -61.68 -49.06 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.352 -0.84 . . . . 1.59 110.056 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 26' ' ' TYR . 58.5 mt -68.84 -38.89 80.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 1.67 110.453 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.88 -25.05 62.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.281 -0.872 . . . . 1.95 110.929 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 111.944 0.35 . . . . 3.11 111.944 -178.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.281 0.562 . . . . 2.06 110.685 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -127.61 172.74 10.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 2.43 109.562 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 41.72 76.73 0.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.29 0.567 . . . . 3.12 111.403 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 52' ' ' ASP . 10.1 mt -56.14 139.67 46.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.497 -0.774 . . . . 1.94 111.143 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -60.93 139.26 58.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.455 -0.793 . . . . 1.66 110.597 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.9 -35.03 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.778 -0.647 . . . . 2.95 110.117 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -74.26 170.61 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.27 110.007 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -100.1 144.61 28.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.242 0.544 . . . . 3.18 110.603 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.7 mt -107.2 140.01 21.03 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.667 -0.697 . . . . 1.44 109.783 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.78 157.59 31.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.355 1.37 . . . . 1.63 113.053 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.5 mt -80.53 -40.13 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.34 -0.845 . . . . 1.43 111.128 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.63 -30.68 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.641 . . . . 2.31 111.171 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -90.4 -12.17 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 4.07 111.489 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.59 146.6 44.56 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.461 0.648 . . . . 1.58 111.161 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.26 -41.23 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.148 -0.933 . . . . 3.03 110.074 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -171.96 -174.21 1.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.698 -0.683 . . . . 2.07 109.894 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -153.73 153.4 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.242 0.544 . . . . 1.74 110.925 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -136.61 121.13 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.591 -0.731 . . . . 3.6 110.352 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -97.11 149.12 22.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 40' ' ' ILE . 41.7 mt -126.53 136.83 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 1.7 110.47 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 30' ' ' THR . 27.4 m -164.15 42.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 2.31 110.181 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -72.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.723 -0.671 . . . . 3.47 110.75 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.37 -37.46 1.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.778 -0.929 . . . . 2.68 110.778 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -69.86 -31.64 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.085 0.469 . . . . 5.35 110.411 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.67 167.37 2.57 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.859 -0.61 . . . . 2.1 110.581 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -79.02 -29.73 3.12 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 121.839 1.693 . . . . 2.27 112.74 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -160.11 135.48 8.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 3.28 110.552 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 144.45 30.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.797 -0.638 . . . . 3.31 110.271 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.09 -173.96 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 1.22 110.34 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 40' ' ' ILE . 58.0 t -119.49 157.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.412 0.625 . . . . 1.14 110.264 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 29' ' ' ILE . 41.4 mt -128.1 130.13 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.158 -0.928 . . . . 1.73 109.515 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.662 ' CE2' HG13 ' A' ' 58' ' ' VAL . 35.0 m-85 -108.98 149.0 29.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.336 0.589 . . . . 1.49 110.863 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.0 mtpt -123.94 130.98 53.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 2.95 109.758 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -97.0 -168.24 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.631 . . . . 1.89 109.993 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.48 29.6 3.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 3.19 110.597 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 20.07 11.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.073 -0.512 . . . . 2.68 110.927 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.37 38.36 19.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.108 0.48 . . . . 2.57 110.608 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -136.14 158.42 44.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 3.49 110.63 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.0 157.83 33.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.674 -0.694 . . . . 2.28 110.374 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.7 mt -141.94 159.51 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 2.11 110.356 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.3 m -96.14 138.5 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.742 -0.663 . . . . 1.82 110.419 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.41 154.24 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.806 -0.633 . . . . 1.23 110.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.68 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -112.1 152.63 44.5 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.818 -0.628 . . . . 2.22 109.676 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -78.28 3.51 7.06 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 121.525 1.483 . . . . 1.21 113.667 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -98.75 9.41 43.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.649 -0.42 . . . . 3.39 111.307 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.34 158.17 16.08 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.093 0.473 . . . . 2.31 110.399 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -75.89 -47.02 27.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.804 -0.634 . . . . 3.69 110.726 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.573 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 66.5 p-90 -69.2 -27.15 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 1.33 110.478 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.68 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.9 t -76.95 -37.2 26.54 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 N-CA-C 109.097 -0.705 . . . . 0.97 109.097 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.06 -47.56 76.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 2.67 109.579 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.382 -0.826 . . . . 1.87 109.327 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.32 -50.05 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.421 -0.809 . . . . 1.05 109.966 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.7 ttp -64.52 -44.59 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 1.92 109.912 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -35.39 80.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 2.73 109.561 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.828 ' CD2' HD22 ' A' ' 20' ' ' LEU . 24.1 t80 -61.2 -55.36 33.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.332 -0.849 . . . . 1.59 109.809 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 26' ' ' TYR . 81.5 mt -66.31 -42.18 88.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.779 -0.646 . . . . 1.67 109.673 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.01 -23.56 65.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 1.95 110.193 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 CA--C 1.534 0.341 0 CA-C-N 116.153 -0.476 . . . . 3.11 112.171 -179.658 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 121.055 0.455 . . . . 2.06 110.373 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 60.34 31.11 20.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.847 -0.615 . . . . 2.43 110.658 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -178.14 83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 3.12 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 52' ' ' ASP . 35.2 mt -65.36 161.1 20.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.849 -0.614 . . . . 1.94 110.351 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.21 142.35 31.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.853 -0.612 . . . . 1.66 110.564 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.96 -35.38 9.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 2.95 110.277 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -78.31 113.42 16.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.663 -0.698 . . . . 4.27 110.078 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -59.77 137.48 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 3.18 110.739 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 59.0 mt -89.74 139.86 27.87 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.515 -0.766 . . . . 1.44 109.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -76.36 158.24 36.9 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.417 1.411 . . . . 1.63 112.958 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.8 mt -80.35 -43.27 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.337 -0.847 . . . . 1.43 111.178 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -28.86 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.31 111.105 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -94.94 -9.15 34.96 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.04 -0.527 . . . . 4.07 111.589 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' LYS . 4.9 mt -76.91 146.81 37.36 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.339 0.59 . . . . 1.58 111.134 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.54 -40.73 2.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.245 -0.889 . . . . 3.03 110.285 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -178.7 160.52 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.843 -0.617 . . . . 2.07 110.063 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.2 p90 -124.34 159.68 29.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.142 0.496 . . . . 1.74 110.629 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -135.06 103.31 5.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 3.6 110.538 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -81.4 144.96 31.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.636 . . . . 2.51 110.258 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 HD11 ' A' ' 40' ' ' ILE . 39.3 mt -118.84 138.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.633 -0.712 . . . . 1.7 110.511 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.719 HG23 ' CD ' ' A' ' 37' ' ' LYS . 21.0 m -163.77 31.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 2.31 110.398 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -84.5 -172.53 4.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 3.47 110.574 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.84 32.71 7.2 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.8 -0.92 . . . . 2.68 110.8 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.16 -32.81 7.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.452 . . . . 5.35 110.404 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.0 m -100.66 157.12 34.31 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.901 -0.591 . . . . 2.1 110.434 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.59 -33.12 0.72 Allowed 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 121.794 1.663 . . . . 2.27 112.635 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -127.5 139.61 52.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.789 -0.642 . . . . 3.28 110.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.719 ' CD ' HG23 ' A' ' 30' ' ' THR . 23.8 mtmm -72.54 153.88 41.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.351 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.03 -178.29 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.89 -0.595 . . . . 1.22 110.573 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 40' ' ' ILE . 37.5 t -135.39 159.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.623 -0.717 . . . . 1.14 110.153 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 39' ' ' VAL . 40.3 mt -135.48 132.15 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.716 . . . . 1.73 109.929 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.708 ' HE2' HG13 ' A' ' 58' ' ' VAL . 56.9 m-85 -111.11 147.59 34.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.308 0.575 . . . . 1.49 111.048 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.3 tttp -125.97 137.43 53.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.712 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.6 p -99.98 -166.65 1.36 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.375 -0.83 . . . . 1.89 109.98 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -97.92 30.36 3.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 3.19 110.662 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -125.03 20.67 8.24 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 2.68 111.1 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 43.85 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.297 0.57 . . . . 2.57 110.594 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -135.39 154.4 51.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 3.49 110.593 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.7 m-20 -128.29 144.0 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.653 -0.703 . . . . 2.28 110.305 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.9 mm -134.75 148.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 2.11 110.416 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.21 151.66 24.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 1.82 110.223 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -153.99 147.13 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.623 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.1 t0 -91.17 144.13 29.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.726 -0.67 . . . . 2.22 109.884 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -79.46 1.13 9.45 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 121.545 1.497 . . . . 1.21 113.537 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -110.36 22.35 15.61 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.592 -0.443 . . . . 3.39 110.98 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 179.38 4.45 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.087 0.47 . . . . 2.31 110.487 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -90.09 -57.79 2.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.77 -0.65 . . . . 3.69 110.91 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.414 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.8 p-90 -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 1.33 110.036 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HE2' ' A' ' 41' ' ' PHE . 54.8 t -70.84 -38.87 74.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 108.853 -0.795 . . . . 0.97 108.853 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.32 -47.09 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.453 -0.794 . . . . 2.67 109.214 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.82 -35.74 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.358 -0.837 . . . . 1.87 109.164 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -64.35 -53.84 42.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.356 -0.838 . . . . 1.05 109.926 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 33.8 ttm -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.225 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -65.93 -37.02 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.315 0.579 . . . . 2.73 109.878 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.764 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.4 t80 -63.42 -50.91 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.349 -0.841 . . . . 1.59 109.855 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 65' ' ' LEU . 65.8 mt -69.85 -39.88 76.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.421 0.629 . . . . 1.67 109.796 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.76 -31.23 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.14 -0.937 . . . . 1.95 110.258 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 . . . . . 0 N--CA 1.461 0.123 0 CA-C-N 116.038 -0.528 . . . . 3.11 110.611 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 121.132 0.492 . . . . 2.06 110.399 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.08 -31.73 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 2.43 110.438 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.56 86.32 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 3.12 110.399 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 52' ' ' ASP . 33.7 mt -63.21 140.27 58.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 1.94 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 135.71 51.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.775 -0.648 . . . . 1.66 110.431 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -102.48 -34.11 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.747 -0.66 . . . . 2.95 110.309 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -77.08 128.25 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.826 -0.625 . . . . 4.27 110.288 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 40.2 mtmt -61.44 126.0 25.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 3.18 110.504 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 58.6 mt -89.9 139.66 27.6 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.707 -0.679 . . . . 1.44 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -79.08 157.39 26.7 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.535 1.49 . . . . 1.63 112.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.759 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.0 mt -80.74 -42.52 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.362 -0.835 . . . . 1.43 110.999 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -57.95 -30.05 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 2.31 110.996 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -90.03 -12.76 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.309 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.6 145.65 50.58 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.358 0.599 . . . . 1.58 110.842 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -120.65 -41.42 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.243 -0.889 . . . . 3.03 110.252 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 t -169.21 174.16 6.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 2.07 109.942 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.709 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.7 p90 -146.04 156.71 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.102 0.477 . . . . 1.74 110.754 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -133.05 122.8 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.677 -0.692 . . . . 3.6 110.542 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG3' HG22 ' A' ' 39' ' ' VAL . 30.4 ttp180 -100.78 146.37 27.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 2.51 110.326 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 40' ' ' ILE . 53.8 mt -132.97 135.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 1.7 110.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 30' ' ' THR . 6.6 m -163.99 31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.31 110.451 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -171.22 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 3.47 110.498 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 35.68 4.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.722 -0.951 . . . . 2.68 110.722 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -115.08 -56.22 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.185 0.517 . . . . 5.35 110.44 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.6 150.74 96.76 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 2.1 110.323 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.5 -28.28 1.87 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.847 1.698 . . . . 2.27 112.566 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -132.44 107.56 8.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.69 -0.686 . . . . 3.28 110.387 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -61.4 141.42 57.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.854 -0.612 . . . . 3.31 110.468 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.53 -177.55 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.859 -0.609 . . . . 1.22 110.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 ' HG3' ' A' ' 28' ' ' ARG . 60.9 t -120.0 158.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.691 -0.686 . . . . 1.14 110.314 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 29' ' ' ILE . 6.6 mt -127.38 130.37 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.238 -0.892 . . . . 1.73 109.344 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.4 m-85 -107.58 148.16 29.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.304 0.573 . . . . 1.49 111.019 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . 72.8 mttt -124.96 130.24 51.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.35 -0.841 . . . . 2.95 109.558 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.6 p -94.11 -167.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 1.89 110.017 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -98.37 30.12 3.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.236 -0.438 . . . . 3.19 110.679 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -123.54 20.75 9.48 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.062 -0.517 . . . . 2.68 110.944 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.43 39.31 18.61 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.222 0.534 . . . . 2.57 110.572 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -138.01 144.4 41.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 3.49 110.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -111.79 156.14 22.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.783 -0.644 . . . . 2.28 110.414 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.5 mt -140.63 159.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.872 -0.604 . . . . 2.11 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 68.6 m -92.45 146.64 23.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 1.82 110.479 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.92 133.29 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 1.23 110.552 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.726 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.3 p30 -92.6 157.59 39.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.206 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 11.69 3.05 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 121.839 1.693 . . . . 1.21 113.964 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -106.1 12.68 30.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.58 -0.448 . . . . 3.39 111.502 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -100.65 156.02 17.55 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.02 0.438 . . . . 2.31 110.37 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -34.39 58.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 3.69 111.053 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 70.7 p-90 -84.92 -26.42 27.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.449 -0.501 . . . . 1.33 110.421 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.9 t -73.11 -45.47 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 N-CA-C 109.098 -0.704 . . . . 0.97 109.098 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -48.31 82.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.572 -0.74 . . . . 2.67 109.682 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -32.56 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.442 -0.799 . . . . 1.87 109.267 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -65.57 -53.95 34.79 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.478 -0.783 . . . . 1.05 110.449 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.8 ptm -62.3 -37.88 87.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.125 -0.488 . . . . 1.92 110.672 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -72.46 -35.75 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.391 0.615 . . . . 2.73 109.841 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.759 ' CD2' HD22 ' A' ' 20' ' ' LEU . 57.7 t80 -66.22 -47.45 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.297 -0.865 . . . . 1.59 109.735 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 26' ' ' TYR . 65.2 mt -64.92 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.537 0.684 . . . . 1.67 109.995 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -46.84 88.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.913 -1.039 . . . . 1.95 110.938 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 120.65 -0.42 . . . . 3.11 111.166 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 121.026 0.441 . . . . 2.06 110.33 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 59.94 177.96 0.09 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.901 -0.59 . . . . 2.43 110.305 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.55 61.22 1.9 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.516 0.674 . . . . 3.12 111.749 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 52' ' ' ASP . 9.3 mt -59.34 140.32 56.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.467 -0.788 . . . . 1.94 110.768 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 139.42 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.582 -0.736 . . . . 1.66 110.604 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -103.12 -33.45 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.731 -0.668 . . . . 2.95 110.282 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.64 152.85 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.276 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 30.8 mttp -81.72 127.59 33.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.815 -0.63 . . . . 3.18 110.447 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.637 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.87 139.65 27.64 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.919 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.8 157.47 31.42 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 121.41 1.406 . . . . 1.63 113.036 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.816 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.1 mt -80.63 -37.51 30.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.332 -0.849 . . . . 1.43 110.927 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -59.25 -31.53 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 2.31 110.863 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -88.97 -13.25 39.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 4.07 111.298 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.84 144.45 45.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.363 0.601 . . . . 1.58 111.039 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -120.28 -41.74 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.116 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -168.35 -176.15 2.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.818 -0.628 . . . . 2.07 109.781 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -154.52 164.62 38.41 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 1.74 110.853 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -148.25 122.3 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 3.6 110.469 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 39' ' ' VAL . 11.4 ttm180 -92.63 143.57 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 2.51 110.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 40' ' ' ILE . 53.3 mt -116.06 136.1 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.4 -0.818 . . . . 1.7 110.248 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 30' ' ' THR . 17.9 m -149.46 31.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.805 -0.634 . . . . 2.31 110.447 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 132.63 46.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.467 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.2 -27.69 65.58 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.022 -0.831 . . . . 2.68 111.022 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -69.76 -32.49 71.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.026 0.441 . . . . 5.35 110.643 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.21 150.03 97.39 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.961 -0.563 . . . . 2.1 110.352 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.84 -28.01 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.864 1.709 . . . . 2.27 112.596 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -133.73 129.1 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 3.28 110.668 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 106.46 17.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.859 -0.609 . . . . 3.31 109.787 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.56 -176.76 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.322 0.582 . . . . 1.22 111.043 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 28' ' ' ARG . 89.4 t -119.43 159.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.303 -0.862 . . . . 1.14 109.86 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -126.7 130.33 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.441 -0.799 . . . . 1.73 109.368 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.627 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -106.56 147.2 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.328 0.585 . . . . 1.49 111.055 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.5 mmtp -115.94 129.05 56.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.127 -0.942 . . . . 2.95 109.212 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.3 p -98.54 -166.35 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.175 -0.466 . . . . 1.89 110.084 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -96.03 28.29 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.887 0.375 . . . . 3.19 111.016 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.72 18.54 7.99 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.291 -0.413 . . . . 2.68 111.058 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.69 35.37 22.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.147 0.499 . . . . 2.57 110.655 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -126.28 147.64 49.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 3.49 110.671 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.44 139.52 48.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.759 -0.655 . . . . 2.28 110.278 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -126.42 159.46 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 2.11 110.238 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 87.3 m -92.73 143.89 25.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.268 -0.878 . . . . 1.82 110.114 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.24 137.55 19.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 1.23 110.7 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.805 ' HB3' HD13 ' A' ' 13' ' ' LEU . 16.0 p30 -89.89 149.15 41.3 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.861 -0.609 . . . . 2.22 110.096 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.96 9.63 3.86 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 121.807 1.671 . . . . 1.21 113.897 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.18 17.52 20.89 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.554 -0.458 . . . . 3.39 111.369 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.8 174.2 6.15 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.121 0.486 . . . . 2.31 110.462 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -88.78 -47.13 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 3.69 110.592 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.637 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 65.5 p-90 -72.06 -31.01 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 1.33 110.056 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 ' O ' ' A' ' 52' ' ' ASP . 60.0 t -71.12 -40.91 75.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.307 -0.627 . . . . 0.97 109.307 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 2.67 109.528 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.81 -33.76 68.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.474 -0.785 . . . . 1.87 109.129 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -68.01 -53.03 28.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.417 -0.811 . . . . 1.05 110.446 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -34.9 79.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 1.92 110.199 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.61 66.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.374 0.607 . . . . 2.73 109.478 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.3 t80 -63.27 -49.97 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.169 -0.923 . . . . 1.59 109.906 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 26' ' ' TYR . 44.9 mt -65.5 -42.94 91.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.873 -0.603 . . . . 1.67 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.1 -32.17 72.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.404 -0.817 . . . . 1.95 110.456 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 115.94 -0.573 . . . . 3.11 110.727 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 40' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.141 0.496 . . . . 2.06 110.087 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -81.85 -34.7 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.357 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.09 82.79 8.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 3.12 110.465 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.526 HD13 ' CG ' ' A' ' 52' ' ' ASP . 14.1 mt -61.74 140.39 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 1.94 110.313 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -61.84 140.2 58.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 1.66 110.514 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -101.79 -38.12 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.888 -0.596 . . . . 2.95 110.194 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.75 132.33 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.682 -0.69 . . . . 4.27 109.894 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 23.5 mttt -61.81 135.05 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.606 . . . . 3.18 110.557 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.525 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.5 mt -89.74 139.73 27.85 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.86 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.26 156.12 37.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.307 1.338 . . . . 1.63 112.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' A' ' 64' ' ' TYR . 53.1 mt -80.67 -44.32 18.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.282 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.31 -28.97 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 2.31 111.18 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -90.11 -12.91 36.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 4.07 111.521 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -74.94 147.8 40.59 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.354 0.597 . . . . 1.58 111.1 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -120.95 -41.35 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.175 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.7 t -179.43 159.43 0.91 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.808 -0.633 . . . . 2.07 109.949 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.4 p90 -120.7 164.45 16.53 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.11 0.481 . . . . 1.74 110.778 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -148.75 108.68 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 3.6 110.366 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -79.79 148.81 31.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.457 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -119.85 139.7 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 1.7 110.163 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.81 32.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.846 -0.615 . . . . 2.31 110.46 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -63.73 -172.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 3.47 110.359 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.16 31.64 7.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.811 -0.916 . . . . 2.68 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -120.45 -43.28 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.108 0.48 . . . . 5.35 110.55 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.07 150.77 96.18 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.74 -0.664 . . . . 2.1 110.377 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.36 -27.9 2.09 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.855 1.703 . . . . 2.27 112.581 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -135.33 146.83 48.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.791 -0.641 . . . . 3.28 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -83.54 153.15 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.786 -0.643 . . . . 3.31 110.455 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.02 -177.73 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 1.22 110.427 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.6 t -123.56 157.25 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.501 0.667 . . . . 1.14 110.382 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.595 HD13 ' O ' ' A' ' 39' ' ' VAL . 18.9 mm -127.96 131.08 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.093 -0.958 . . . . 1.73 109.281 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -110.44 147.62 33.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.375 0.607 . . . . 1.49 110.96 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 23' ' ' LEU . 20.7 mtmm -123.53 132.01 53.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.285 -0.871 . . . . 2.95 109.902 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -90.15 -167.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.632 -0.713 . . . . 1.89 109.969 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 29.94 2.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.014 0.435 . . . . 3.19 110.641 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.99 20.46 6.43 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.094 -0.503 . . . . 2.68 110.854 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 50.02 5.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.317 0.579 . . . . 2.57 110.533 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -137.66 150.63 47.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 3.49 110.529 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.49 140.67 49.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.72 -0.673 . . . . 2.28 110.306 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' CYS . 36.6 mm -126.41 159.61 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 2.11 110.359 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 49' ' ' ILE . 56.0 m -91.64 143.7 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 1.82 110.051 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.72 36.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.244 0.545 . . . . 1.23 110.695 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -109.57 151.92 42.5 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.582 -0.736 . . . . 2.22 109.972 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.18 6.83 5.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 121.792 1.661 . . . . 1.21 113.547 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -110.35 16.28 21.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.667 -0.413 . . . . 3.39 111.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.0 mptt -100.66 157.26 16.81 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.108 0.48 . . . . 2.31 110.465 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -77.86 -35.4 51.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.834 -0.621 . . . . 3.69 110.655 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.2 p-90 -79.61 -27.1 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 1.33 110.475 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 89.2 t -73.65 -42.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.054 -0.721 . . . . 0.97 109.054 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -62.82 -48.15 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.579 -0.737 . . . . 2.67 109.556 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -65.26 -33.72 76.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 1.87 109.342 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -65.31 -53.7 40.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.513 -0.767 . . . . 1.05 109.963 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.8 ttt -60.5 -42.43 96.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.914 -0.585 . . . . 1.92 110.414 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.99 -40.25 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.323 0.582 . . . . 2.73 109.687 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' CG ' HD22 ' A' ' 20' ' ' LEU . 67.7 t80 -61.47 -49.14 77.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.224 -0.898 . . . . 1.59 110.079 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.0 mt -62.17 -40.37 95.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 1.67 110.292 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -44.82 95.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.842 . . . . 1.95 110.097 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.482 -0.781 . . . . 3.11 112.201 179.675 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 t . . . . . 0 N--CA 1.461 0.109 0 CA-C-O 121.022 0.439 . . . . 2.06 111.185 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 62.37 32.38 16.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.279 0.562 . . . . 2.43 110.032 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -168.71 79.04 0.13 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.446 -0.797 . . . . 3.12 109.639 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 52' ' ' ASP . 32.5 mt -68.75 157.57 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.499 -0.773 . . . . 1.94 110.847 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.46 172.86 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.648 -0.706 . . . . 1.66 110.741 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.68 -46.39 1.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.647 -0.706 . . . . 2.95 110.352 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -73.87 128.56 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 4.27 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -61.48 136.51 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 3.18 110.747 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.8 mt -90.0 139.76 27.46 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.563 -0.744 . . . . 1.44 109.742 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -77.03 155.47 33.74 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.357 1.371 . . . . 1.63 112.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.6 mt -80.8 -43.18 20.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.163 -0.926 . . . . 1.43 111.172 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.73 -29.67 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 2.31 111.039 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -94.43 -10.41 32.52 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.046 -0.524 . . . . 4.07 111.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -74.62 140.33 44.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.286 0.565 . . . . 1.58 110.934 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -111.49 -38.35 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.463 -0.789 . . . . 3.03 110.126 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -179.98 173.12 0.99 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.634 -0.712 . . . . 2.07 109.94 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 12.1 p90 -135.82 160.69 37.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.141 0.496 . . . . 1.74 110.732 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -139.95 128.71 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 3.6 110.495 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.3 ttm180 -104.35 143.5 32.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.811 -0.632 . . . . 2.51 110.327 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 40' ' ' ILE . 49.3 mt -113.76 134.43 56.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.507 -0.77 . . . . 1.7 110.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.17 30.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 2.31 110.484 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -73.98 -172.92 1.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 3.47 110.551 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 -24.36 37.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.216 -0.753 . . . . 2.68 111.216 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -69.5 -32.19 70.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.03 0.443 . . . . 5.35 110.64 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.52 142.86 58.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.425 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.62 -30.09 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.688 1.592 . . . . 2.27 112.26 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -131.08 -177.15 4.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 3.28 110.378 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -104.64 159.28 15.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.899 -0.591 . . . . 3.31 110.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 1.22 110.648 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 40' ' ' ILE . 45.9 t -142.41 159.38 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.614 -0.721 . . . . 1.14 110.251 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 49' ' ' ILE . 45.9 mt -136.3 130.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 1.73 109.715 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.689 ' HE2' HG13 ' A' ' 58' ' ' VAL . 50.4 m-85 -108.6 147.98 31.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.452 0.644 . . . . 1.49 111.278 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.23 131.09 55.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.228 -0.896 . . . . 2.95 109.433 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 p -101.66 -167.65 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 1.89 110.261 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 30.12 3.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 3.19 110.747 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.76 20.3 9.34 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.055 -0.52 . . . . 2.68 110.994 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.79 20.69 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.953 0.406 . . . . 2.57 110.727 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -131.2 150.23 52.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.059 -0.519 . . . . 3.49 110.538 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -116.55 152.15 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.682 -0.69 . . . . 2.28 110.245 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.9 mt -134.86 159.58 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.606 . . . . 2.11 110.236 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.0 m -100.05 144.68 28.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.481 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -153.21 146.92 25.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.647 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.1 p30 -95.5 154.99 39.16 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.829 -0.623 . . . . 2.22 110.257 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.36 6.61 5.49 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 121.709 1.606 . . . . 1.21 113.567 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.89 18.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.633 -0.427 . . . . 3.39 111.274 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.38 169.98 8.73 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.065 0.46 . . . . 2.31 110.398 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -84.97 -47.56 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 3.69 110.744 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.462 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -74.36 -27.51 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.33 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.711 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.6 t -74.53 -40.73 48.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.179 -0.675 . . . . 0.97 109.179 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.51 -48.04 79.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 2.67 109.569 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -35.18 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.437 -0.801 . . . . 1.87 109.271 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.98 -52.5 59.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.413 -0.812 . . . . 1.05 109.979 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 29.5 mtp -61.44 -44.44 97.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 1.92 110.366 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -64.91 -37.38 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.337 0.589 . . . . 2.73 109.556 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' CD2' HD22 ' A' ' 20' ' ' LEU . 55.9 t80 -63.8 -53.71 46.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.277 -0.874 . . . . 1.59 109.546 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 65' ' ' LEU . 75.4 mt -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 1.67 110.033 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.63 -37.34 86.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 1.95 109.991 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 . . . . . 0 CA--C 1.533 0.291 0 CA-C-N 115.631 -0.713 . . . . 3.11 111.535 179.789 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 121.134 0.492 . . . . 2.06 110.407 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -109.32 -32.59 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.735 -0.666 . . . . 2.43 110.466 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.48 86.67 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 3.12 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 52' ' ' ASP . 17.7 mt -66.04 140.62 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 1.94 110.391 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 142.71 56.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.66 110.48 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -103.83 -36.25 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 2.95 110.318 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.98 147.11 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 4.27 110.248 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.5 mttt -77.02 129.18 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 3.18 110.54 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.601 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.88 139.92 27.66 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.66 -0.7 . . . . 1.44 109.91 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.5 156.35 32.27 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.38 1.387 . . . . 1.63 112.918 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.9 mt -80.71 -41.19 24.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.162 -0.926 . . . . 1.43 111.202 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 2.31 111.107 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -91.29 -11.72 37.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 4.07 111.591 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.6 mt -75.17 146.95 40.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.469 0.652 . . . . 1.58 111.049 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -119.03 -40.82 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.252 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -179.89 160.54 0.9 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.763 -0.653 . . . . 2.07 109.915 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 62' ' ' MET . 12.4 p90 -124.58 157.55 35.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.146 0.498 . . . . 1.74 110.814 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -134.15 100.52 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 3.6 110.328 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -64.97 147.09 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.835 -0.621 . . . . 2.51 110.486 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 38' ' ' ALA . 1.4 mt -104.63 -159.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.875 -0.787 . . . . 1.7 108.875 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.507 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 71.93 31.23 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.092 0.473 . . . . 2.31 110.083 -179.447 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t -69.53 -32.99 72.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.771 -0.649 . . . . 3.47 110.354 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.3 -31.02 1.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 2.68 110.879 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.87 48.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 5.35 110.52 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.75 151.08 82.26 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.952 -0.567 . . . . 2.1 110.475 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.69 -38.73 0.16 Allowed 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 121.905 1.736 . . . . 2.27 112.672 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -107.33 171.93 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.717 -0.674 . . . . 3.28 110.54 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -110.03 144.09 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.435 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 29' ' ' ILE . . . -178.11 -177.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.958 -0.565 . . . . 1.22 110.547 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 47.0 t -129.14 158.97 41.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.806 -0.634 . . . . 1.14 110.135 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.5 ' N ' HG12 ' A' ' 39' ' ' VAL . 33.1 mt -127.48 137.56 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.539 -0.755 . . . . 1.73 109.627 179.353 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.658 ' HE2' HG13 ' A' ' 58' ' ' VAL . 35.8 m-85 -117.17 148.4 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.403 0.62 . . . . 1.49 111.27 -179.251 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 23' ' ' LEU . 21.3 ttpt -122.37 139.4 53.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.112 -0.949 . . . . 2.95 109.558 179.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.5 p -108.52 -172.85 2.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.485 -0.779 . . . . 1.89 110.357 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -81.33 -1.63 46.07 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.008 -0.542 . . . . 3.19 111.695 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.86 19.82 9.67 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.704 -0.398 . . . . 2.68 111.234 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.26 30.76 19.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.99 0.424 . . . . 2.57 110.869 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.35 160.7 23.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 3.49 110.311 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.595 ' C ' HD12 ' A' ' 49' ' ' ILE . 43.6 m-20 -124.87 154.72 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.66 -0.7 . . . . 2.28 110.517 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.3 mp -141.19 159.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.441 0.639 . . . . 2.11 110.119 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 81.6 m -94.56 140.04 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.248 -0.887 . . . . 1.82 110.451 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.97 145.54 32.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 1.23 110.759 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.77 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -93.76 152.41 40.68 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.725 -0.671 . . . . 2.22 110.187 179.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 6.92 5.37 Favored 'Trans proline' 0 N--CA 1.476 0.452 0 C-N-CA 121.754 1.636 . . . . 1.21 113.61 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -110.23 16.81 21.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.602 -0.439 . . . . 3.39 111.413 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -100.63 161.25 13.72 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.112 0.482 . . . . 2.31 110.457 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -79.09 -43.95 23.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 3.69 110.75 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.601 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -73.72 -28.23 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 1.33 110.396 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 52' ' ' ASP . 73.0 t -73.79 -40.55 53.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.162 -0.681 . . . . 0.97 109.162 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.2 -47.6 79.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.604 -0.725 . . . . 2.67 109.563 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -66.77 -34.47 77.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 1.87 109.272 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.5 m -64.72 -52.5 56.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.406 -0.816 . . . . 1.05 109.915 179.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 2.6 ttm -61.86 -44.52 96.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.767 -0.651 . . . . 1.92 110.44 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -65.64 -36.54 83.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.373 0.606 . . . . 2.73 109.708 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 20' ' ' LEU . 47.0 t80 -63.59 -52.5 60.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.275 -0.875 . . . . 1.59 109.792 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 65' ' ' LEU . 71.9 mt -66.26 -40.91 90.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.735 -0.666 . . . . 1.67 110.129 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.55 -32.82 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.297 -0.865 . . . . 1.95 110.24 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 3.11 110.451 -179.969 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.23 0.052 0 CA-C-O 121.198 0.523 . . . . 2.06 110.56 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.01 -47.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.582 -0.735 . . . . 2.43 110.299 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.45 70.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 3.12 110.079 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD13 ' CG ' ' A' ' 52' ' ' ASP . 8.4 mt -60.15 140.77 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.745 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.66 58.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.66 110.333 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -92.98 -45.05 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 2.95 110.27 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.04 166.06 16.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.605 -0.725 . . . . 4.27 110.094 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -97.38 137.4 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 3.18 110.51 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.3 mt -89.72 139.84 27.91 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.685 -0.689 . . . . 1.44 109.823 179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.25 155.49 32.91 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 121.426 1.418 . . . . 1.63 113.122 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.5 mt -80.73 -43.62 19.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.041 -0.981 . . . . 1.43 111.113 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -57.55 -29.8 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.145 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -95.14 -9.64 32.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.586 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.0 147.7 44.9 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.515 0.674 . . . . 1.58 111.108 -179.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.33 -41.37 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.104 -0.953 . . . . 3.03 110.196 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -179.29 161.59 1.11 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.852 -0.613 . . . . 2.07 109.818 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -127.2 156.57 41.63 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.186 0.517 . . . . 1.74 110.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.13 115.61 14.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 3.6 110.378 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' HG22 ' A' ' 39' ' ' VAL . 13.7 ttt-85 -101.51 149.6 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.461 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.32 142.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 1.7 110.239 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t -158.83 29.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 2.31 110.597 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -86.67 -171.49 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 3.47 110.4 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.53 33.55 6.12 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.735 -0.946 . . . . 2.68 110.735 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -112.11 -37.35 5.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.107 0.48 . . . . 5.35 110.492 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.4 m -91.6 153.87 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 2.1 110.5 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.75 -27.46 2.59 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 121.89 1.727 . . . . 2.27 112.553 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -136.63 139.42 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.633 . . . . 3.28 110.441 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -74.76 118.15 17.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 3.31 110.396 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.23 -178.4 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 1.22 110.533 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.8 t -132.91 158.97 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.661 -0.7 . . . . 1.14 110.246 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 49' ' ' ILE . 43.4 mt -134.53 130.5 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.465 -0.789 . . . . 1.73 109.562 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -109.72 148.18 31.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 1.49 110.988 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 23' ' ' LEU . 15.7 ttmm -126.33 140.61 52.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.368 -0.833 . . . . 2.95 109.91 179.276 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -100.93 -170.13 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.416 -0.811 . . . . 1.89 110.132 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -3.76 57.65 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.132 -0.485 . . . . 3.19 111.426 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.23 20.97 8.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.732 -0.387 . . . . 2.68 111.252 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.56 32.02 21.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.046 0.451 . . . . 2.57 110.933 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -115.1 146.05 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 3.49 110.324 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.639 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.5 m-20 -116.9 145.69 43.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.976 -0.556 . . . . 2.28 110.491 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 48' ' ' ASP . 41.6 mm -135.65 156.4 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.61 -0.723 . . . . 2.11 110.058 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' HG22 ' A' ' 49' ' ' ILE . 23.5 m -90.26 151.37 21.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.881 -0.6 . . . . 1.82 110.38 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.77 148.91 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.817 -0.629 . . . . 1.23 110.778 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.674 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.4 t0 -96.29 147.23 32.64 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.637 -0.71 . . . . 2.22 109.86 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -81.12 6.81 5.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.628 1.552 . . . . 1.21 113.613 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -110.23 18.95 19.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.809 -0.357 . . . . 3.39 111.023 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -100.67 170.0 8.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.08 0.467 . . . . 2.31 110.381 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.23 -44.43 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 3.69 110.522 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.486 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.2 p-90 -73.4 -30.09 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.278 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.8 t -72.66 -40.18 61.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 0.97 109.324 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.3 -40.9 86.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 2.67 109.621 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -33.51 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 1.87 109.182 178.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.9 m -68.2 -52.44 34.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.368 -0.833 . . . . 1.05 110.524 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -34.66 78.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 1.92 110.291 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -71.76 -36.97 70.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.401 0.62 . . . . 2.73 109.566 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 20' ' ' LEU . 51.1 t80 -64.98 -51.9 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.247 -0.888 . . . . 1.59 109.595 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 65' ' ' LEU . 63.3 mt -64.44 -40.65 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.657 -0.702 . . . . 1.67 110.122 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.45 -34.28 73.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 1.95 109.915 179.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 CA--C 1.532 0.28 0 CA-C-N 115.491 -0.777 . . . . 3.11 111.485 179.708 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.212 0.529 . . . . 2.06 110.694 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -138.24 -47.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 2.43 110.286 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -80.04 78.3 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.719 -0.673 . . . . 3.12 110.286 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 51' ' ' ALA . 6.9 mt -60.74 143.35 54.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.662 -0.699 . . . . 1.94 110.577 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 139.31 57.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.636 . . . . 1.66 110.685 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.6 -33.71 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 2.95 110.241 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -81.18 129.42 34.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.761 -0.654 . . . . 4.27 110.294 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -60.51 135.44 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 3.18 110.713 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.5 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 66.0 mt -90.0 140.24 27.54 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.752 -0.658 . . . . 1.44 109.901 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -78.33 156.65 29.26 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.464 1.442 . . . . 1.63 113.06 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.6 mt -80.86 -43.36 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.287 -0.87 . . . . 1.43 111.201 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -57.16 -29.91 64.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 2.31 111.143 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -93.56 -9.37 38.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 4.07 111.606 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.8 mt -74.69 148.48 40.52 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.494 0.664 . . . . 1.58 111.3 -179.426 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -122.69 -41.78 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.094 -0.957 . . . . 3.03 110.226 179.45 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -179.66 150.72 0.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.857 -0.611 . . . . 2.07 109.991 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 8.6 p90 -115.97 172.1 7.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.11 0.481 . . . . 1.74 110.655 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -154.77 142.82 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 3.6 110.485 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 26.4 ttp180 -115.89 141.67 47.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 2.51 110.403 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 56.2 mt -120.86 144.36 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.48 -0.782 . . . . 1.7 110.302 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -169.55 34.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.345 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -172.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 3.47 110.523 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -29.49 8.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.995 -0.842 . . . . 2.68 110.995 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.85 71.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.47 . . . . 5.35 110.415 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.9 151.77 95.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.787 -0.642 . . . . 2.1 110.3 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.43 -36.96 0.24 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.926 1.751 . . . . 2.27 112.538 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -134.12 175.11 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.608 -0.724 . . . . 3.28 110.246 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -119.77 152.66 36.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 3.31 110.579 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.78 -174.47 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.786 -0.643 . . . . 1.22 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 42.3 t -119.83 158.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.366 0.603 . . . . 1.14 110.301 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.2 mp -135.76 129.83 48.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.285 -0.871 . . . . 1.73 109.637 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.624 ' HE2' HG13 ' A' ' 58' ' ' VAL . 57.3 m-85 -106.74 146.78 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 1.49 110.981 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -122.01 129.09 52.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 2.95 109.869 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -89.8 -173.41 3.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 1.89 110.029 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -97.24 30.92 2.62 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.322 -0.399 . . . . 3.19 110.759 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.56 23.06 6.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 2.68 110.685 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 42.13 11.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.229 0.537 . . . . 2.57 110.338 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -135.57 151.31 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 3.49 110.543 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -126.18 153.16 45.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.801 -0.636 . . . . 2.28 110.132 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.7 mt -139.36 159.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 2.11 110.349 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.1 m -93.87 148.35 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 1.82 110.142 179.818 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.626 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -153.4 153.37 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.233 0.539 . . . . 1.23 111.023 -179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.644 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -99.2 145.72 30.49 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.504 -0.771 . . . . 2.22 109.805 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -79.76 3.41 7.58 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 121.539 1.493 . . . . 1.21 113.521 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -110.38 23.07 14.74 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.632 -0.427 . . . . 3.39 111.049 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.6 mmtp -100.5 170.12 8.61 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.103 0.478 . . . . 2.31 110.35 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -29.77 20.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.947 -0.569 . . . . 3.69 110.692 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.5 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -88.17 -28.9 20.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 120.508 -0.477 . . . . 1.33 110.094 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.0 t -72.32 -45.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.041 -0.527 . . . . 0.97 109.61 179.153 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 2.67 109.701 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -34.09 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.616 -0.72 . . . . 1.87 109.064 178.428 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -66.99 -55.34 14.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.398 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -33.31 74.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.097 -0.501 . . . . 1.92 110.176 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -69.35 -39.39 78.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.424 0.63 . . . . 2.73 109.582 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.866 ' CD2' HD22 ' A' ' 20' ' ' LEU . 39.6 t80 -63.46 -53.83 45.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.126 -0.943 . . . . 1.59 109.537 179.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 76.7 mt -62.61 -40.33 96.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.787 . . . . 1.67 110.151 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.43 -35.37 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.34 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.815 -0.63 . . . . 3.11 110.515 -179.879 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.238 0.542 . . . . 2.06 110.735 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 35' ' ' PRO . 47.1 m-85 -129.76 -46.77 1.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.672 -0.695 . . . . 2.43 110.364 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -73.89 90.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 3.12 110.55 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.533 HD13 ' OD1' ' A' ' 52' ' ' ASP . 16.6 mt -82.44 143.06 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.406 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -68.11 155.3 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.867 -0.606 . . . . 1.66 110.632 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.05 -40.73 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.746 -0.661 . . . . 2.95 110.269 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -64.24 165.2 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.649 -0.705 . . . . 4.27 110.4 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.6 mtmt -100.09 123.68 44.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 3.18 110.314 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.5 mt -89.95 140.11 27.6 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.766 -0.652 . . . . 1.44 110.03 -179.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.3 Cg_endo -79.99 159.47 24.04 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.611 1.541 . . . . 1.63 112.88 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 64' ' ' TYR . 43.3 mt -80.8 -43.49 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.389 -0.823 . . . . 1.43 111.106 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.47 -30.06 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 2.31 111.148 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -90.35 -13.36 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 4.07 111.366 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -69.58 142.13 53.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.283 0.563 . . . . 1.58 111.062 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.36 -0.836 . . . . 3.03 109.893 179.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 p -169.79 -178.79 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.658 . . . . 2.07 109.77 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.74 146.31 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 1.74 110.928 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -123.31 118.58 27.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.358 -0.837 . . . . 3.6 110.263 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -86.64 148.67 25.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 2.51 110.847 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 40' ' ' ILE . 2.6 mm -93.31 -153.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.564 -0.902 . . . . 1.7 108.564 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 37' ' ' LYS . 1.7 m 78.52 43.69 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.605 0.717 . . . . 2.31 109.666 -179.239 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -59.77 -160.16 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.993 -1.003 . . . . 3.47 110.413 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.88 -33.67 3.65 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.517 -0.311 . . . . 2.68 112.495 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.58 67.27 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.131 -0.628 . . . . 5.35 111.6 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.58 157.31 82.44 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.439 -0.578 . . . . 2.1 109.439 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 40.4 Cg_endo -81.61 -32.2 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 121.691 1.594 . . . . 2.27 112.559 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -140.2 120.33 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.8 -0.636 . . . . 3.28 110.556 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' HG23 ' A' ' 30' ' ' THR . 36.3 mtmt -63.21 154.81 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 3.31 110.04 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 -171.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.136 0.493 . . . . 1.22 110.85 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 40' ' ' ILE . 91.8 t -145.3 160.32 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 1.14 109.755 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.809 HG13 HD11 ' A' ' 29' ' ' ILE . 45.3 mt -131.33 135.86 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.73 109.771 179.237 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' A' ' 58' ' ' VAL . 45.9 m-85 -113.22 156.92 22.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.328 0.585 . . . . 1.49 110.851 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 23' ' ' LEU . 33.7 mttt -136.27 130.86 33.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.362 -0.836 . . . . 2.95 109.676 179.426 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -93.53 -163.44 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.7 -0.682 . . . . 1.89 109.863 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 28.55 2.81 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.893 0.378 . . . . 3.19 111.014 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.29 19.44 9.8 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.302 -0.408 . . . . 2.68 110.957 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.9 33.94 21.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.08 0.467 . . . . 2.57 110.569 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -122.94 142.68 50.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 3.49 110.597 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.2 m-20 -115.01 140.85 48.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.815 -0.63 . . . . 2.28 110.416 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 36.9 mm -135.01 135.51 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 2.11 110.21 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -73.78 155.54 38.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.141 0.496 . . . . 1.82 110.452 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -152.11 147.99 27.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.747 -0.661 . . . . 1.23 110.856 -179.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.661 ' O ' HG11 ' A' ' 58' ' ' VAL . 4.0 t0 -89.89 145.72 33.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.684 -0.689 . . . . 2.22 109.441 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.63 4.58 6.55 Favored 'Trans proline' 0 N--CA 1.476 0.461 0 C-N-CA 121.529 1.486 . . . . 1.21 113.72 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -110.19 21.46 16.72 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.703 -0.399 . . . . 3.39 110.907 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.43 165.06 11.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.046 0.45 . . . . 2.31 110.347 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -80.54 -44.7 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 3.69 110.562 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.1 p-90 -75.8 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 1.33 110.256 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.661 HG11 ' O ' ' A' ' 52' ' ' ASP . 46.9 t -74.76 -40.49 46.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.725 -0.472 . . . . 0.97 109.725 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 2.67 109.721 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.7 -33.23 64.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.544 -0.753 . . . . 1.87 109.321 178.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.6 m -69.07 -49.35 58.11 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.467 -0.788 . . . . 1.05 110.628 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -68.02 -36.48 80.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 1.92 110.087 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -71.06 -36.09 72.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.374 0.607 . . . . 2.73 109.603 179.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 20' ' ' LEU . 31.6 t80 -63.61 -51.29 65.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.171 -0.922 . . . . 1.59 109.788 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 26' ' ' TYR . 59.2 mt -66.38 -42.13 88.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.67 110.102 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.15 -32.01 72.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.35 -0.841 . . . . 1.95 110.257 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 3.11 110.383 179.869 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.461 0.113 0 CA-C-O 121.144 0.497 . . . . 2.06 110.318 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.05 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 2.43 110.105 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 60.14 83.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 3.12 110.419 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 52' ' ' ASP . 9.1 mt -59.43 140.2 56.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.701 -0.681 . . . . 1.94 110.662 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.74 132.78 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.633 -0.712 . . . . 1.66 110.431 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 2.95 110.219 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -67.55 169.37 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 4.27 110.21 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -99.81 142.84 30.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.071 -0.714 . . . . 3.18 109.071 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.646 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 64.9 mt -106.63 139.75 20.66 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.748 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.6 155.5 35.66 Favored 'Trans proline' 0 N--CA 1.477 0.503 0 C-N-CA 121.382 1.388 . . . . 1.63 113.028 -179.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 64' ' ' TYR . 54.5 mt -80.86 -49.49 10.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.114 -0.948 . . . . 1.43 111.342 -179.212 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -55.55 -28.36 54.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 2.31 111.504 -179.162 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -89.54 -14.81 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 4.07 111.411 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -71.48 145.74 49.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.296 0.569 . . . . 1.58 111.105 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -117.28 -40.17 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.37 -0.832 . . . . 3.03 110.255 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -178.64 160.42 1.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.871 -0.604 . . . . 2.07 109.929 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 25.6 p90 -123.97 155.78 37.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.153 0.502 . . . . 1.74 110.914 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 40' ' ' ILE . 34.9 mmt-85 -135.37 124.88 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 3.6 110.244 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -105.73 149.47 26.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.557 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.1 mt -120.28 138.34 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.672 . . . . 1.7 110.275 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.76 30.17 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 2.31 110.519 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -88.21 -173.33 4.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.014 -0.539 . . . . 3.47 110.467 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.68 30.61 10.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.793 -0.923 . . . . 2.68 110.793 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -111.74 -35.73 5.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.061 0.458 . . . . 5.35 110.437 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -86.57 157.24 55.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 2.1 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.38 -26.98 2.45 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 121.848 1.699 . . . . 2.27 112.632 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -145.7 132.39 19.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 3.28 110.467 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -67.33 157.8 33.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 3.31 110.366 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.26 -178.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 1.22 110.483 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 40' ' ' ILE . 44.2 t -123.85 158.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.238 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.6 mp -133.38 130.27 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.525 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.671 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -109.41 148.11 31.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 1.49 111.044 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 23' ' ' LEU . 14.4 tttp -128.26 139.03 52.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.327 -0.851 . . . . 2.95 109.755 179.445 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -99.02 -166.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.341 -0.845 . . . . 1.89 110.034 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -97.31 29.0 3.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 3.19 110.845 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mt -126.29 21.6 7.28 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.186 -0.461 . . . . 2.68 110.905 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.51 42.27 11.54 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.239 0.543 . . . . 2.57 110.483 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -129.78 155.07 46.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.806 -0.634 . . . . 3.49 110.404 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.719 ' O ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-20 -130.52 147.21 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 2.28 110.383 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.2 mm -136.42 156.61 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 2.11 110.308 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 49' ' ' ILE . 71.9 m -93.59 142.2 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.612 . . . . 1.82 110.316 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -148.77 151.31 34.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.837 -0.62 . . . . 1.23 110.799 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.664 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.7 t0 -97.63 147.89 33.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.554 -0.748 . . . . 2.22 109.864 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -80.19 4.96 6.36 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 121.609 1.539 . . . . 1.21 113.538 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -109.75 22.01 16.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.732 -0.387 . . . . 3.39 110.815 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -100.51 169.61 8.95 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.079 0.466 . . . . 2.31 110.286 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -40.83 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 3.69 110.755 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.646 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.9 p-90 -80.98 -27.57 35.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 1.33 110.527 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.671 HG13 ' CE2' ' A' ' 41' ' ' PHE . 65.0 t -73.89 -42.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.191 -0.67 . . . . 0.97 109.191 178.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -62.22 -48.41 80.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.561 -0.745 . . . . 2.67 109.604 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 1.87 109.284 178.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -63.92 -52.49 59.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.331 -0.85 . . . . 1.05 110.093 179.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.4 ttm -60.11 -43.16 95.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.85 -0.614 . . . . 1.92 110.467 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -65.66 -40.25 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.358 0.599 . . . . 2.73 109.751 179.489 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CD2' HD22 ' A' ' 20' ' ' LEU . 66.7 t80 -63.92 -51.13 65.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.276 -0.875 . . . . 1.59 109.572 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 65' ' ' LEU . 72.0 mt -64.52 -40.8 96.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 1.67 110.222 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.96 -35.35 78.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 1.95 110.247 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.758 -0.656 . . . . 3.11 110.713 179.941 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.112 0.482 . . . . 2.06 110.364 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -107.12 32.9 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.621 . . . . 2.43 110.388 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -161.34 81.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 3.12 110.525 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 52' ' ' ASP . 29.2 mt -61.35 140.09 58.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.826 -0.624 . . . . 1.94 110.409 179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 127.89 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 1.66 110.497 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -91.33 -33.47 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 2.95 110.183 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -66.41 162.0 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.093 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -95.3 136.89 35.09 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.127 -0.694 . . . . 3.18 109.127 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.9 mt -104.83 139.92 20.57 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.549 -0.75 . . . . 1.44 109.765 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.59 154.03 30.75 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.332 1.355 . . . . 1.63 113.185 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' LEU . 76.3 mt -80.82 -43.12 20.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.077 -0.965 . . . . 1.43 111.126 -179.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -57.54 -29.92 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.651 . . . . 2.31 111.207 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -90.31 -13.57 34.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 4.07 111.348 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -68.53 146.34 53.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.343 0.592 . . . . 1.58 111.142 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.5 -41.64 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.266 -0.879 . . . . 3.03 110.158 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t 179.71 149.5 0.31 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.794 -0.639 . . . . 2.07 109.999 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -111.88 155.63 23.33 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.547 -0.461 . . . . 1.74 110.704 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -128.04 101.35 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 3.6 110.468 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 39' ' ' VAL . 26.5 ttm180 -77.65 146.88 35.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 2.51 110.387 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 40' ' ' ILE . 43.6 mt -116.11 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.623 -0.717 . . . . 1.7 110.332 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t 178.81 39.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 2.31 110.376 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -80.95 -56.15 4.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 3.47 110.622 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.75 -24.81 1.48 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.037 -0.825 . . . . 2.68 111.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -69.46 -28.85 66.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.921 0.391 . . . . 5.35 110.703 -179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.81 157.9 71.24 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.229 -0.441 . . . . 2.1 110.293 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -81.66 -25.64 3.56 Favored 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 121.876 1.718 . . . . 2.27 112.758 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -143.52 151.08 39.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 3.28 110.471 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -82.79 148.38 27.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 3.31 110.41 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.81 -177.32 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.42 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.4 t -128.16 158.49 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 1.14 110.516 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 29' ' ' ILE . 50.5 mt -131.28 139.06 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.267 -0.879 . . . . 1.73 109.51 179.172 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.599 ' CE2' HG13 ' A' ' 58' ' ' VAL . 29.5 m-85 -118.27 146.95 43.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.335 0.588 . . . . 1.49 111.029 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.747 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.6 ttmt -127.9 140.0 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 2.95 109.819 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 p -104.01 -166.67 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.312 -0.858 . . . . 1.89 109.96 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -97.79 29.11 3.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.964 0.412 . . . . 3.19 110.605 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.69 20.51 10.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.122 -0.49 . . . . 2.68 110.924 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.87 42.03 13.65 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.221 0.534 . . . . 2.57 110.622 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -135.96 160.59 38.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 3.49 110.358 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -134.77 154.62 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.492 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.9 mt -142.09 159.57 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 2.11 110.308 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.2 m -95.9 139.44 32.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 1.82 110.324 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -138.45 145.72 41.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 1.23 110.623 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 11.5 p-10 -90.37 150.93 43.82 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.755 -0.657 . . . . 2.22 110.236 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.56 6.49 5.6 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 121.781 1.654 . . . . 1.21 113.571 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -110.21 19.89 18.42 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.566 -0.454 . . . . 3.39 111.217 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.6 mmtm -100.6 162.38 12.97 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.079 0.466 . . . . 2.31 110.4 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -82.63 -37.25 25.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.851 -0.613 . . . . 3.69 110.55 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.522 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -81.23 -30.37 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 1.33 110.247 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.706 HG11 ' O ' ' A' ' 52' ' ' ASP . 93.9 t -70.59 -45.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 109.327 -0.62 . . . . 0.97 109.327 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.13 -46.84 88.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 2.67 109.736 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.48 -33.08 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.428 -0.806 . . . . 1.87 109.205 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.7 m -65.06 -54.64 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.403 -0.817 . . . . 1.05 110.457 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE2' HG12 ' A' ' 58' ' ' VAL . 20.2 ptp -61.45 -38.25 86.5 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.526 -0.47 . . . . 1.92 110.599 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -70.77 -37.84 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.365 0.602 . . . . 2.73 109.878 179.52 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.7 t80 -66.58 -49.05 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 1.59 109.661 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 65' ' ' LEU . 67.5 mt -65.75 -40.58 92.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 1.67 110.145 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.35 -35.89 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.328 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 3.11 110.404 179.95 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.461 0.114 0 CA-C-O 121.268 0.556 . . . . 2.06 110.715 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -135.8 160.22 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 2.43 110.061 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.17 68.25 0.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.522 0.677 . . . . 3.12 110.218 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ASP . 9.6 mt -62.71 145.4 54.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 1.94 110.557 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 145.03 46.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 1.66 110.682 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -105.65 -36.99 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.817 -0.628 . . . . 2.95 110.339 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -68.23 154.73 41.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.207 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.1 mttp -86.32 127.62 34.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 3.18 110.649 -179.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.598 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 68.3 mt -89.78 140.14 27.85 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.623 -0.717 . . . . 1.44 109.767 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.19 155.95 37.67 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.379 1.386 . . . . 1.63 113.119 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.4 mt -80.68 -42.84 21.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.131 -0.941 . . . . 1.43 111.24 -179.375 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.55 -29.89 64.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.893 -0.594 . . . . 2.31 111.18 -179.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -13.94 39.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 4.07 111.459 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -74.98 153.33 38.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.564 0.697 . . . . 1.58 111.639 -179.18 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -42.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.755 -1.111 . . . . 3.03 110.179 179.44 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -167.22 177.58 6.08 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.844 -0.616 . . . . 2.07 109.846 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -149.0 158.22 44.02 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.315 -0.554 . . . . 1.74 111.202 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.1 mtt-85 -134.98 119.04 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.521 -0.763 . . . . 3.6 110.186 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -89.17 150.43 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 2.51 110.703 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CG1' HD11 ' A' ' 40' ' ' ILE . 43.0 mm -111.39 138.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.644 -0.707 . . . . 1.7 110.195 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -159.25 31.01 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.869 -0.605 . . . . 2.31 110.392 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.12 132.03 39.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.842 -0.617 . . . . 3.47 110.528 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.89 -26.27 65.14 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.122 -0.791 . . . . 2.68 111.122 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.71 -35.91 75.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.031 0.443 . . . . 5.35 110.536 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.41 151.09 88.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 2.1 110.312 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -81.43 -27.61 2.68 Favored 'Trans proline' 0 N--CA 1.473 0.288 0 C-N-CA 121.892 1.728 . . . . 2.27 112.497 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -150.37 134.2 16.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.807 -0.633 . . . . 3.28 110.434 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 169.91 1.5 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.399 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.77 -178.16 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.018 -0.537 . . . . 1.22 110.735 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.8 t -140.52 159.01 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.613 -0.721 . . . . 1.14 110.002 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.3 mp -135.95 129.49 47.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.592 -0.731 . . . . 1.73 109.699 179.216 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HB3' HD21 ' A' ' 23' ' ' LEU . 52.0 m-85 -106.79 146.22 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.577 . . . . 1.49 110.968 -179.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 23' ' ' LEU . 55.0 tttt -119.57 139.82 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.525 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -105.51 -169.34 1.58 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.463 -0.79 . . . . 1.89 110.075 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -98.32 29.45 3.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.244 -0.434 . . . . 3.19 110.862 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -124.72 21.14 8.44 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.157 -0.474 . . . . 2.68 111.05 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 38.52 17.82 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.227 0.537 . . . . 2.57 110.647 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -135.8 142.06 44.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 3.49 110.482 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.669 ' O ' HD13 ' A' ' 49' ' ' ILE . 15.7 m-20 -117.46 146.62 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.491 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.4 mm -135.3 154.8 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.641 . . . . 2.11 110.123 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 49' ' ' ILE . 2.0 m -92.47 156.24 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.82 110.283 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -154.34 151.7 29.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.798 -0.637 . . . . 1.23 111.001 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.668 ' CB ' HD13 ' A' ' 13' ' ' LEU . 19.2 t70 -89.73 139.62 27.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.493 -0.776 . . . . 2.22 109.697 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.66 2.14 8.12 Favored 'Trans proline' 0 N--CA 1.476 0.494 0 C-N-CA 121.446 1.431 . . . . 1.21 113.775 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -110.09 24.32 13.17 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.665 -0.414 . . . . 3.39 110.758 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.57 169.29 9.16 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.009 0.433 . . . . 2.31 110.209 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -85.07 -36.79 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.592 . . . . 3.69 110.69 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.598 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -83.95 -29.81 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.321 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' A' ' 41' ' ' PHE . 58.9 t -71.04 -46.24 68.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.288 -0.634 . . . . 0.97 109.288 178.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.72 -47.41 86.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.743 -0.662 . . . . 2.67 109.715 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -32.84 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.402 -0.817 . . . . 1.87 109.158 178.463 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.8 m -65.75 -54.21 30.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.455 -0.793 . . . . 1.05 110.432 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 ptm -61.5 -36.55 80.82 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.509 -0.476 . . . . 1.92 110.406 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -69.88 -34.15 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.332 0.587 . . . . 2.73 109.784 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.67 ' CD2' HD22 ' A' ' 20' ' ' LEU . 41.6 t80 -62.22 -51.95 65.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.347 -0.842 . . . . 1.59 110.1 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 65' ' ' LEU . 47.7 mt -63.88 -43.28 96.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.67 110.356 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.26 -33.15 71.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.637 -0.71 . . . . 1.95 109.774 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 CA--C 1.533 0.302 0 CA-C-N 115.605 -0.725 . . . . 3.11 111.538 179.627 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 121.053 0.454 . . . . 2.06 110.293 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -121.0 -22.23 6.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.89 -0.595 . . . . 2.43 112.103 -179.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -117.11 16.3 14.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.088 -0.645 . . . . 3.12 112.694 -179.296 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 37.39 -160.04 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 O-C-N 123.455 0.472 . . . . 1.94 112.159 177.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.31 143.83 51.16 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.106 0.479 . . . . 1.66 110.465 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.81 -34.63 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 2.95 110.327 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 118.93 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 4.27 110.247 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -60.17 151.44 27.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 3.18 110.739 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.1 mt -110.94 140.02 22.31 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.927 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -79.19 159.71 26.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.475 1.45 . . . . 1.63 112.696 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.3 mt -80.48 -39.77 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.506 -0.77 . . . . 1.43 111.048 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.91 -30.32 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 2.31 110.893 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -92.25 -11.27 35.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 4.07 111.507 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.1 mt -74.74 138.19 42.55 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 1.58 110.924 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.2 -34.16 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 3.03 110.215 179.435 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.9 p -178.19 -172.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.851 -0.613 . . . . 2.07 110.051 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -154.45 155.68 35.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 1.74 110.508 179.779 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -140.26 111.35 7.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 3.6 110.735 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -82.7 149.21 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.818 -0.628 . . . . 2.51 110.066 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' ILE . 19.3 mt -111.16 120.6 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 1.7 110.386 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.1 m -165.85 32.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.279 -0.873 . . . . 2.31 110.247 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -81.33 -62.68 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 3.47 110.846 -179.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.04 -24.87 0.61 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.301 -0.72 . . . . 2.68 111.301 -179.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -69.29 -32.16 71.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.965 0.412 . . . . 5.35 110.382 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 29' ' ' ILE . 8.4 m -83.95 150.71 59.25 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.981 -0.554 . . . . 2.1 110.202 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.99 -25.39 3.47 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.805 1.67 . . . . 2.27 112.772 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -126.24 145.0 50.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.963 -0.562 . . . . 3.28 110.506 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -93.03 92.23 7.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 3.31 110.214 179.813 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.02 -177.26 3.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.885 -0.598 . . . . 1.22 110.635 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -119.74 156.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 1.14 110.192 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 29' ' ' ILE . 36.6 mt -132.85 129.92 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.227 -0.897 . . . . 1.73 109.386 179.177 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.668 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.1 m-85 -106.21 148.01 28.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.39 0.614 . . . . 1.49 111.141 -179.069 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -118.8 124.98 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.328 -0.851 . . . . 2.95 109.676 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 p -89.92 -174.04 4.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 1.89 110.13 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -97.38 29.94 3.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.209 -0.45 . . . . 3.19 110.739 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -124.67 20.96 8.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.111 -0.495 . . . . 2.68 110.926 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 37.55 15.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.005 0.431 . . . . 2.57 110.81 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -138.13 139.77 39.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.222 0.534 . . . . 3.49 110.527 179.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.01 151.05 23.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.655 -0.702 . . . . 2.28 110.445 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.6 mt -134.38 156.86 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.839 -0.619 . . . . 2.11 110.221 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.473 ' N ' HG22 ' A' ' 49' ' ' ILE . 64.0 m -96.2 154.3 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.563 -0.744 . . . . 1.82 110.564 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -159.07 156.77 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.259 0.552 . . . . 1.23 111.377 -179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.86 ' HB3' HD22 ' A' ' 13' ' ' LEU . 2.0 p30 -101.46 150.17 37.0 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.543 -0.753 . . . . 2.22 110.23 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -80.28 4.11 7.09 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.646 1.564 . . . . 1.21 113.405 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.51 17.83 20.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.741 -0.384 . . . . 3.39 111.486 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -100.35 155.49 17.77 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.477 -0.489 . . . . 2.31 110.347 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -73.02 -41.61 64.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 3.69 110.834 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CE2' HG23 ' A' ' 58' ' ' VAL . 61.5 p-90 -76.28 -29.07 57.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.33 110.657 -179.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.1 t -75.33 -41.39 43.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.158 -0.682 . . . . 0.97 109.158 178.789 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.61 -46.74 88.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.56 -0.746 . . . . 2.67 109.912 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.53 -35.79 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.745 . . . . 1.87 109.4 178.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.5 m -63.97 -50.85 66.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.35 -0.841 . . . . 1.05 109.918 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.426 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 2.2 ttp -62.21 -46.96 86.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.715 -0.675 . . . . 1.92 110.331 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -64.05 -34.73 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.624 . . . . 2.73 109.59 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.7 t80 -62.44 -53.51 53.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.339 -0.846 . . . . 1.59 109.851 179.593 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 26' ' ' TYR . 50.3 mt -66.42 -41.7 88.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.76 -0.654 . . . . 1.67 110.006 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.21 -32.24 72.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.293 -0.867 . . . . 1.95 110.201 179.419 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 115.889 -0.596 . . . . 3.11 110.488 179.9 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.463 0.197 0 CA-C-O 121.142 0.496 . . . . 2.06 110.83 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -112.72 -36.28 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.734 -0.666 . . . . 2.43 110.403 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.15 94.8 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 3.12 110.309 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' CG ' ' A' ' 52' ' ' ASP . 31.0 mt -63.42 140.33 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 1.94 110.402 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.38 35.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 1.66 110.425 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.01 -31.85 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.765 -0.652 . . . . 2.95 110.406 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -70.26 121.03 16.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 4.27 110.628 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 1.6 mtpt -58.32 124.42 19.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 3.18 110.45 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.81 139.73 27.75 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.766 -0.652 . . . . 1.44 109.961 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.71 157.06 24.59 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.458 1.438 . . . . 1.63 112.924 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 64' ' ' TYR . 31.5 mt -80.88 -43.91 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 1.43 111.187 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.28 -28.94 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.795 -0.639 . . . . 2.31 111.239 -179.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -91.32 -12.35 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 4.07 111.517 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.2 mt -72.59 145.12 47.59 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.344 0.592 . . . . 1.58 111.015 -179.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -116.57 -40.81 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 3.03 110.094 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.03 175.53 2.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.717 -0.674 . . . . 2.07 109.809 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -143.75 156.16 44.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.353 -0.539 . . . . 1.74 110.917 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 tpm_? -130.91 116.24 17.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.564 -0.744 . . . . 3.6 110.021 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 15.7 ttp180 -88.34 143.94 26.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.398 0.618 . . . . 2.51 110.782 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.567 ' CG1' HD11 ' A' ' 40' ' ' ILE . 1.8 mt -105.89 -153.81 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.182 -0.917 . . . . 1.7 108.614 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.561 HG23 ' C ' ' A' ' 29' ' ' ILE . 1.5 p 78.14 35.44 0.26 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.274 0.559 . . . . 2.31 110.099 -179.54 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -109.97 -171.23 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 3.47 110.192 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.44 63.25 3.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.686 -0.965 . . . . 2.68 110.686 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -165.33 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 5.35 110.588 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' ILE . 2.1 m -66.2 152.27 94.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.682 -0.69 . . . . 2.1 110.432 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.17 -57.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.942 1.762 . . . . 2.27 112.716 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -81.88 -177.96 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.7 -0.682 . . . . 3.28 110.444 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.08 136.94 54.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.455 -179.918 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.58 -173.42 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.883 -0.599 . . . . 1.22 110.615 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.7 t -134.33 159.59 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.639 -0.71 . . . . 1.14 109.923 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.8 mp -127.12 136.49 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 1.73 109.849 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -116.87 149.8 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.297 0.57 . . . . 1.49 111.001 -179.298 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.786 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.4 ttpt -123.81 141.16 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.394 -0.821 . . . . 2.95 109.945 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -104.32 -166.15 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 1.89 110.103 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -97.5 29.42 3.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.851 0.358 . . . . 3.19 110.829 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.46 19.81 8.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.162 -0.472 . . . . 2.68 110.966 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 37.42 19.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.219 0.533 . . . . 2.57 110.609 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -130.49 147.39 52.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 3.49 110.468 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.93 149.23 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 2.28 110.414 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 49' ' ' ILE . 3.0 mp -134.0 162.39 39.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.78 -0.646 . . . . 2.11 110.017 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 49' ' ' ILE . 97.1 m -98.39 144.26 27.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.6 -0.727 . . . . 1.82 110.167 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -146.05 149.44 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.806 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.678 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.8 t0 -95.64 147.52 33.13 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.697 -0.683 . . . . 2.22 109.773 179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.87 6.4 5.55 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 121.615 1.544 . . . . 1.21 113.709 -179.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -110.19 19.4 18.95 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.703 -0.399 . . . . 3.39 111.135 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.6 160.92 13.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.06 0.457 . . . . 2.31 110.415 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.41 -32.61 37.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 3.69 110.784 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -85.51 -26.5 26.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.504 -0.478 . . . . 1.33 110.488 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.9 t -74.3 -43.98 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.197 -0.668 . . . . 0.97 109.197 178.771 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.88 -40.56 95.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 2.67 109.553 179.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -33.92 69.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.93 -0.767 . . . . 1.87 108.93 178.311 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -66.17 -54.74 21.69 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.285 -0.87 . . . . 1.05 110.488 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.25 -33.88 75.46 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.433 -0.507 . . . . 1.92 110.136 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.465 0.65 . . . . 2.73 109.387 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.1 t80 -60.92 -50.55 72.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.16 -0.927 . . . . 1.59 110.032 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.5 mt -65.74 -41.59 91.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.67 110.534 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -28.64 67.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.454 -0.793 . . . . 1.95 110.348 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 3.11 111.123 -179.631 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.147 0.498 . . . . 2.06 110.434 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.72 -32.96 11.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.774 -0.648 . . . . 2.43 110.417 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.17 80.67 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.761 -0.654 . . . . 3.12 110.374 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 52' ' ' ASP . 22.9 mt -65.52 140.36 58.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.715 -0.675 . . . . 1.94 110.408 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -68.68 136.39 52.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 1.66 110.434 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.38 -33.82 9.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.802 -0.635 . . . . 2.95 110.403 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -79.17 131.13 36.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.76 -0.655 . . . . 4.27 110.312 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.7 mtmt -63.83 125.55 24.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 3.18 110.535 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.628 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.3 mt -89.88 139.87 27.66 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.866 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.02 157.57 34.32 Favored 'Trans proline' 0 N--CA 1.475 0.439 0 C-N-CA 121.421 1.414 . . . . 1.63 112.988 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.61 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.46 -41.45 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 1.43 111.089 -179.374 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -57.87 -30.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 2.31 110.957 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -89.18 -14.39 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 4.07 111.274 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 20' ' ' LEU . 8.4 mt -74.01 145.92 44.19 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.267 0.556 . . . . 1.58 111.122 -179.535 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -117.05 -39.71 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.419 -0.81 . . . . 3.03 110.382 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.8 p -172.46 -170.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 2.07 110.484 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.706 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -153.97 147.5 25.09 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.948 -0.569 . . . . 1.74 110.743 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -130.9 98.88 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.466 -0.788 . . . . 3.6 110.39 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -63.93 148.64 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.849 -0.614 . . . . 2.51 110.481 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.604 HD11 ' CG1' ' A' ' 40' ' ' ILE . 43.4 mt -114.61 135.44 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.556 -0.747 . . . . 1.7 110.16 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -178.12 38.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.596 . . . . 2.31 110.365 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 t -61.28 -31.84 71.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 3.47 110.651 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.47 -28.46 7.84 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.988 -0.845 . . . . 2.68 110.988 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.75 -32.45 70.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.007 0.432 . . . . 5.35 110.581 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.45 154.06 95.22 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.901 -0.59 . . . . 2.1 110.394 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.97 -27.25 2.56 Favored 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 121.846 1.697 . . . . 2.27 112.66 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.46 130.69 26.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 3.28 110.621 -179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 154.54 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 3.31 110.308 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.49 -178.06 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.572 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 40' ' ' ILE . 48.9 t -135.92 158.11 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.704 -0.68 . . . . 1.14 110.33 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.604 ' CG1' HD11 ' A' ' 29' ' ' ILE . 46.4 mt -126.71 129.26 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.324 -0.853 . . . . 1.73 109.631 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 26' ' ' TYR . 14.7 m-30 -112.52 147.07 37.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.439 0.637 . . . . 1.49 111.019 -179.456 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -122.09 138.1 54.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.194 -0.912 . . . . 2.95 109.358 178.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -98.46 -165.37 1.24 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.39 -0.823 . . . . 1.89 109.891 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.85 29.12 3.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.393 . . . . 3.19 110.723 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mt -122.31 19.86 10.56 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.106 -0.497 . . . . 2.68 111.001 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 38.14 19.64 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.115 0.484 . . . . 2.57 110.681 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -135.7 147.51 48.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 3.49 110.444 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.26 154.04 28.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.619 -0.719 . . . . 2.28 110.29 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 55.5 mt -141.72 159.18 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 2.11 110.306 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 85.7 m -90.24 144.58 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 1.82 110.086 179.695 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.86 137.79 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.23 110.763 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.704 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -90.73 151.05 43.35 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.107 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.41 5.87 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 121.694 1.596 . . . . 1.21 113.422 -179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.17 18.99 19.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.582 -0.447 . . . . 3.39 111.259 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -100.59 152.96 19.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.034 0.445 . . . . 2.31 110.261 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -71.54 -42.87 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 3.69 110.56 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.628 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 64.3 p-90 -76.02 -26.4 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.909 -0.587 . . . . 1.33 110.558 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.6 t -79.5 -40.41 21.46 Favored 'Isoleucine or valine' 0 C--O 1.23 0.044 0 N-CA-C 109.378 -0.601 . . . . 0.97 109.378 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.94 -40.92 99.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.407 0.623 . . . . 2.67 109.665 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.72 -32.89 68.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 1.87 109.354 178.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 2.0 m -67.47 -49.86 61.67 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.529 -0.76 . . . . 1.05 110.53 179.628 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 ptm -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.1 -0.5 . . . . 1.92 110.111 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -71.6 -37.93 70.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.452 0.644 . . . . 2.73 109.404 179.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CD2' HD22 ' A' ' 20' ' ' LEU . 21.9 t80 -63.44 -48.12 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.125 -0.943 . . . . 1.59 109.547 179.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' CD1' ' A' ' 26' ' ' TYR . 98.2 mt -66.54 -44.1 83.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.612 -0.722 . . . . 1.67 110.116 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.98 -33.51 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 1.95 109.988 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.739 -0.664 . . . . 3.11 110.765 179.978 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 14.8 t . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 121.111 0.481 . . . . 2.06 110.12 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 10' ' ' CYS . 33.7 m-85 -137.91 36.29 2.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 2.43 110.242 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -154.2 62.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 3.12 109.826 179.69 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' ASP . 42.3 mt -58.51 144.36 42.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.472 -0.785 . . . . 1.94 110.904 -179.692 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.83 142.75 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.699 -0.682 . . . . 1.66 110.579 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -105.05 -35.99 7.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 2.95 110.272 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -82.48 124.35 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.732 -0.667 . . . . 4.27 110.281 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -58.83 130.86 48.98 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.857 -0.61 . . . . 3.18 110.876 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.81 139.92 27.78 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.825 179.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.66 159.11 31.91 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.343 1.362 . . . . 1.63 112.979 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.857 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.3 mt -80.39 -39.25 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.398 -0.819 . . . . 1.43 110.997 -179.515 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -59.05 -30.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 2.31 110.898 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -92.14 -11.38 35.78 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.888 -0.597 . . . . 4.07 111.404 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.0 mt -77.73 146.17 36.1 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.411 0.624 . . . . 1.58 111.222 -179.605 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.35 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.191 -0.913 . . . . 3.03 110.064 179.156 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -177.74 178.38 1.0 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.768 -0.651 . . . . 2.07 109.792 179.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 62' ' ' MET . 7.8 p90 -140.61 160.47 39.94 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.461 -0.496 . . . . 1.74 110.632 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -139.52 101.53 4.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 3.6 110.443 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.81 149.68 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.626 . . . . 2.51 110.195 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 40' ' ' ILE . 44.8 mt -112.02 155.49 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.748 -0.66 . . . . 1.7 110.373 -179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 29' ' ' ILE . 4.5 t -175.5 41.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.631 . . . . 2.31 110.213 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.56 164.94 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 3.47 110.691 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.6 -29.51 29.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.964 -0.854 . . . . 2.68 110.964 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -99.08 30.02 3.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.914 0.388 . . . . 5.35 110.584 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.86 148.36 35.72 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.251 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.74 -32.88 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.836 1.691 . . . . 2.27 112.649 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -149.95 146.23 26.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.781 -0.645 . . . . 3.28 110.472 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -76.72 166.65 23.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.746 -0.661 . . . . 3.31 110.236 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.71 -177.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 1.22 110.603 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.4 t -134.03 158.97 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.759 -0.655 . . . . 1.14 110.399 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 29' ' ' ILE . 43.8 mt -133.99 130.7 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.427 -0.806 . . . . 1.73 109.957 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.704 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.3 m-85 -109.02 154.14 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.27 0.557 . . . . 1.49 111.018 -179.432 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -132.47 128.43 37.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.492 -0.777 . . . . 2.95 109.866 179.29 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -89.73 -166.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 1.89 109.995 -179.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -97.52 29.19 3.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 3.19 110.72 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.55 20.82 10.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.238 -0.437 . . . . 2.68 110.967 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.68 36.75 19.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.14 0.495 . . . . 2.57 110.56 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 140.95 49.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.928 -0.578 . . . . 3.49 110.52 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -114.48 149.05 36.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.777 -0.647 . . . . 2.28 110.25 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -137.25 158.77 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.857 -0.61 . . . . 2.11 110.329 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' ILE . 1.6 m -90.56 154.48 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.734 -0.666 . . . . 1.82 110.268 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.81 146.0 21.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.23 110.527 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.691 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.7 t0 -89.85 144.12 31.14 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.815 -0.63 . . . . 2.22 109.83 179.698 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.19 -0.85 11.09 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.584 1.523 . . . . 1.21 113.544 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -110.3 24.5 12.91 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.654 -0.418 . . . . 3.39 110.98 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 176.04 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.064 0.459 . . . . 2.31 110.431 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -88.16 -53.08 4.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 3.69 110.851 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -69.48 -27.84 65.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 1.33 110.186 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.704 HG13 ' HE2' ' A' ' 41' ' ' PHE . 47.8 t -73.99 -38.81 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.122 -0.695 . . . . 0.97 109.122 178.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.16 -47.53 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.356 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.76 -35.25 79.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 1.87 109.315 178.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -64.89 -51.99 58.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.363 -0.835 . . . . 1.05 110.025 179.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 4.0 ttp -62.95 -43.91 97.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.094 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -65.1 -35.77 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 2.73 109.548 179.245 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.857 ' CD2' HD22 ' A' ' 20' ' ' LEU . 30.5 t80 -62.15 -54.68 37.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.832 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 65' ' ' LEU . 83.6 mt -67.07 -41.24 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.701 -0.681 . . . . 1.67 109.916 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.64 -29.55 70.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.291 -0.868 . . . . 1.95 110.132 179.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.038 -0.528 . . . . 3.11 111.709 -179.832 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.12 0.486 . . . . 2.06 110.568 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -109.85 -32.69 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.773 -0.648 . . . . 2.43 110.335 179.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -83.29 83.2 7.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 3.12 110.128 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 52' ' ' ASP . 31.5 mt -66.58 142.42 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.518 -179.748 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' CYS . . . -61.31 157.78 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 1.66 110.589 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.865 -0.607 . . . . 2.95 110.302 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -73.58 122.22 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 4.27 110.173 179.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -58.85 134.38 56.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 3.18 110.761 -179.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.7 mt -89.94 139.9 27.57 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.993 179.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -77.91 159.14 31.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.439 1.426 . . . . 1.63 112.823 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.84 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.4 mt -80.55 -42.39 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.437 -0.801 . . . . 1.43 111.126 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 2.31 111.071 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -92.12 -12.23 33.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.366 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.1 146.04 43.9 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.395 0.617 . . . . 1.58 111.135 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.47 -41.86 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.195 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 t 179.84 156.04 0.6 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.811 -0.631 . . . . 2.07 109.892 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.408 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 12.4 p90 -118.29 158.71 24.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.062 0.458 . . . . 1.74 110.711 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -132.99 107.44 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 3.6 110.314 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' HG3' HG22 ' A' ' 39' ' ' VAL . 59.0 ttp85 -87.49 151.22 23.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.866 -0.606 . . . . 2.51 110.549 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -113.61 152.11 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 1.7 110.235 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' THR . 7.3 m -161.95 31.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.786 -0.643 . . . . 2.31 110.472 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -68.15 150.75 47.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 3.47 110.52 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.16 -32.27 63.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.737 -0.945 . . . . 2.68 110.737 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -31.2 68.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 5.35 110.575 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.42 147.94 81.33 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 2.1 110.348 -179.832 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.16 -29.78 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.763 1.642 . . . . 2.27 112.445 179.799 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -153.78 132.94 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 3.28 110.384 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -65.36 143.43 57.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 3.31 110.608 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.95 -176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.79 -0.641 . . . . 1.22 110.254 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.1 t -133.41 157.84 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.406 0.622 . . . . 1.14 110.693 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 49' ' ' ILE . 54.0 mt -134.55 130.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.099 -0.955 . . . . 1.73 109.555 179.283 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.662 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -107.88 147.52 30.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.407 0.622 . . . . 1.49 111.053 -179.188 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -128.07 127.26 42.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.264 -0.88 . . . . 2.95 109.625 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -91.08 -167.31 1.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.744 -0.662 . . . . 1.89 110.018 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.55 28.54 3.72 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 3.19 110.701 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -120.86 21.35 11.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.161 -0.472 . . . . 2.68 110.88 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.64 36.01 19.75 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.126 0.489 . . . . 2.57 110.572 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -130.78 152.42 50.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.549 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -123.85 153.48 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.845 -0.616 . . . . 2.28 110.249 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 40' ' ' ILE . 52.9 mt -140.42 159.48 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.904 -0.589 . . . . 2.11 110.395 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.2 m -94.54 146.76 23.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 1.82 110.345 179.894 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.21 141.05 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 1.23 110.647 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.702 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -100.2 159.0 30.96 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.801 -0.636 . . . . 2.22 109.926 179.782 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -80.61 7.28 4.91 Favored 'Trans proline' 0 N--CA 1.477 0.511 0 C-N-CA 121.849 1.699 . . . . 1.21 113.757 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.11 10.43 39.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.652 -0.419 . . . . 3.39 111.487 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.47 158.05 16.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.098 0.475 . . . . 2.31 110.449 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -75.83 -48.17 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.732 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.7 p-90 -69.23 -28.17 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 1.33 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.702 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.4 t -75.46 -38.03 38.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.183 -0.673 . . . . 0.97 109.183 178.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.97 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 2.67 109.517 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.85 -35.6 80.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 1.87 109.322 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -65.59 -50.68 64.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.325 -0.852 . . . . 1.05 110.111 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.17 -41.75 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 1.92 110.229 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -67.41 -40.64 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.357 0.598 . . . . 2.73 109.793 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.84 ' CD2' HD22 ' A' ' 20' ' ' LEU . 59.1 t80 -64.98 -49.41 70.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.272 -0.876 . . . . 1.59 109.481 179.455 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 78.6 mt -66.55 -40.63 89.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.648 -0.706 . . . . 1.67 109.991 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.13 -34.51 73.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 1.95 110.197 179.471 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.685 . . . . 3.11 110.328 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.528 -1.429 . . . . 13.64 109.528 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.97 -51.61 0.04 OUTLIER 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 121.935 1.757 . . . . 12.69 112.579 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.88 176.59 5.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.789 -0.641 . . . . 10.41 110.413 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.622 ' O ' HG23 ' A' ' 5' ' ' VAL . 48.1 t -134.97 -54.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 8.23 110.45 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 4' ' ' SER . 5.9 t -155.93 -66.55 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 115.792 -0.64 . . . . 6.25 109.926 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.525 ' HD3' ' HB ' ' A' ' 5' ' ' VAL . 38.3 Cg_endo -73.31 112.23 3.48 Favored 'Trans proline' 0 N--CA 1.479 0.649 0 C-N-CA 121.153 1.235 . . . . 5.11 112.557 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.92 95.14 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.761 -0.654 . . . . 4.67 110.396 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.548 HG22 ' SG ' ' A' ' 34' ' ' CYS . 5.8 m -149.66 -64.25 0.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.815 -0.629 . . . . 3.87 110.375 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' SG ' HG21 ' A' ' 29' ' ' ILE . 1.3 m -150.23 161.24 42.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.571 -0.74 . . . . 2.4 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.99 150.39 33.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 2.06 110.59 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -133.81 -47.97 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.759 -0.655 . . . . 2.43 110.295 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -89.38 93.67 9.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.683 -0.689 . . . . 3.12 110.287 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 52' ' ' ASP . 42.2 mt -61.04 152.85 26.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.808 -0.633 . . . . 1.94 110.582 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -81.34 139.03 35.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.746 -0.661 . . . . 1.66 110.53 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -101.8 -36.5 8.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 2.95 110.28 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -79.07 119.01 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.741 -0.663 . . . . 4.27 110.305 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -59.04 130.73 48.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.911 -0.586 . . . . 3.18 110.791 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -89.84 139.52 27.67 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 115.741 -0.663 . . . . 1.44 109.921 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -79.53 160.94 25.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 121.501 1.467 . . . . 1.63 112.766 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.799 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.1 mt -80.45 -40.83 25.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.538 -0.755 . . . . 1.43 111.09 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.545 . . . . 2.31 110.906 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -91.31 -12.98 33.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.553 . . . . 4.07 111.332 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.76 143.57 51.17 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.299 0.571 . . . . 1.58 110.903 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.66 -41.31 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.354 -0.839 . . . . 3.03 110.112 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 p -169.43 -179.6 3.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.775 -0.648 . . . . 2.07 109.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.671 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.5 p90 -151.45 154.19 36.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.019 0.438 . . . . 1.74 110.563 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.631 ' O ' HD12 ' A' ' 40' ' ' ILE . 12.9 ttm180 -139.44 128.47 23.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 3.6 110.686 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' CD ' HG22 ' A' ' 39' ' ' VAL . 2.1 ttp180 -107.87 148.07 30.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.77 -0.65 . . . . 2.51 110.186 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.598 HG21 ' SG ' ' A' ' 9' ' ' CYS . 53.1 mt -127.09 140.29 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.767 -0.651 . . . . 1.7 110.489 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -164.62 32.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.712 -0.677 . . . . 2.31 110.316 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -171.71 1.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.728 -0.669 . . . . 3.47 110.609 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -98.19 -9.48 53.58 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-N 115.842 -0.617 . . . . 2.68 111.879 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -98.66 29.91 3.51 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-O 121.018 0.437 . . . . 5.35 110.766 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 8' ' ' THR . 1.2 m -132.02 149.5 73.47 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.77 -28.13 1.8 Allowed 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.907 1.738 . . . . 2.27 112.484 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -136.91 170.76 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.79 -0.641 . . . . 3.28 110.412 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -128.58 136.02 50.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 3.31 110.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.05 -171.91 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.799 -0.637 . . . . 1.22 110.545 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG22 ' CD ' ' A' ' 28' ' ' ARG . 58.3 t -119.81 159.04 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.176 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -130.84 130.35 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 1.73 109.546 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' A' ' 58' ' ' VAL . 48.7 m-85 -107.05 151.09 25.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.266 0.555 . . . . 1.49 110.923 -179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -128.1 126.96 42.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.46 -0.791 . . . . 2.95 109.672 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.1 p -89.91 -167.09 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 1.89 110.034 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -97.93 29.1 3.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.334 -0.394 . . . . 3.19 110.63 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -121.81 20.3 10.91 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.179 -0.464 . . . . 2.68 110.919 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.51 36.75 19.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.176 0.512 . . . . 2.57 110.632 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -132.67 145.13 50.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.91 -0.587 . . . . 3.49 110.56 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.663 ' O ' HD13 ' A' ' 49' ' ' ILE . 35.2 m-20 -116.06 147.03 41.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.799 -0.637 . . . . 2.28 110.354 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.663 HD13 ' O ' ' A' ' 48' ' ' ASP . 39.3 mm -134.81 152.51 33.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.896 -0.593 . . . . 2.11 110.387 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.09 152.98 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.808 -0.633 . . . . 1.82 110.219 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -159.11 137.74 10.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.943 -0.571 . . . . 1.23 110.507 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.703 ' O ' HG11 ' A' ' 58' ' ' VAL . 9.0 p-10 -93.52 153.1 41.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.901 -0.59 . . . . 2.22 109.951 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.52 12.7 2.79 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 121.9 1.733 . . . . 1.21 113.931 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -110.08 16.75 21.64 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 120.636 -0.426 . . . . 3.39 111.421 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -100.48 171.04 7.98 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.134 0.492 . . . . 2.31 110.491 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 pttt -88.42 -33.02 18.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.499 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.435 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.1 p-90 -86.35 -26.57 24.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 1.33 110.448 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.703 HG11 ' O ' ' A' ' 52' ' ' ASP . 64.6 t -75.48 -42.53 42.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.069 0 N-CA-C 109.336 -0.616 . . . . 0.97 109.336 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.85 -47.75 82.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 2.67 109.737 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.33 -35.52 80.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.467 -0.788 . . . . 1.87 109.34 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -64.63 -52.01 59.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.363 -0.835 . . . . 1.05 109.931 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.9 ttm -61.62 -44.79 96.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 1.92 110.238 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -64.44 -35.1 79.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.82 -0.627 . . . . 2.73 109.707 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.799 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.0 t80 -62.8 -53.49 53.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.204 -0.907 . . . . 1.59 109.842 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.671 HD13 ' CD1' ' A' ' 26' ' ' TYR . 56.7 mt -65.72 -41.82 91.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 1.67 110.045 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.31 -33.64 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.257 -0.883 . . . . 1.95 110.207 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -81.71 -48.53 11.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.856 -0.611 . . . . 3.11 110.569 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -65.03 -34.51 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.652 -0.704 . . . . 4.18 110.638 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -60.94 146.47 87.3 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.994 -0.548 . . . . 2.77 110.478 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.9 -57.16 0.03 OUTLIER 'Trans proline' 0 N--CA 1.475 0.41 0 C-N-CA 121.794 1.662 . . . . 4.16 112.614 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.4 t -174.62 148.01 1.18 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.578 -0.737 . . . . 5.4 110.326 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.74 174.72 10.08 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 121.795 1.664 . . . . 7.87 112.509 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 0.1 OUTLIER 177.32 -55.66 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.824 -0.626 . . . . 11.77 110.368 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.5 Cg_endo . . . . . 0 C--N 1.347 0.483 0 C-N-CA 121.46 1.44 . . . . 11.1 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.583 -1.407 . . . . 13.64 109.583 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.99 -57.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.861 1.707 . . . . 12.69 112.552 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.08 99.05 8.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.41 110.406 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.64 178.86 6.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.604 . . . . 8.23 110.39 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.3 p -66.81 140.42 96.24 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.784 -0.644 . . . . 6.25 110.106 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.7 Cg_endo -82.67 106.35 1.48 Allowed 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 121.724 1.616 . . . . 5.11 112.543 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 7' ' ' THR . 5.2 t -61.55 109.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.885 -0.598 . . . . 4.67 110.489 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.0 t -130.88 12.88 5.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.854 -0.612 . . . . 3.87 111.449 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.8 m -96.77 -170.68 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 109.821 -0.437 . . . . 2.4 109.821 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -141.62 127.73 19.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.174 0.512 . . . . 2.06 110.652 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -108.68 -32.42 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 2.43 110.259 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -80.05 83.41 5.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.874 -0.603 . . . . 3.12 110.382 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 52' ' ' ASP . 23.5 mt -72.17 140.53 48.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.428 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -62.29 137.12 58.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.66 110.534 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -101.73 -36.39 8.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.794 -0.639 . . . . 2.95 110.352 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -80.78 122.75 27.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.725 -0.67 . . . . 4.27 110.302 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -60.99 138.04 58.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.829 -0.623 . . . . 3.18 110.65 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.4 mt -97.58 139.78 21.59 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.799 -0.637 . . . . 1.44 110.01 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.5 159.3 25.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 121.582 1.521 . . . . 1.63 112.894 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.62 -38.2 29.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.529 -0.759 . . . . 1.43 110.937 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -59.3 -31.2 68.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.023 -0.535 . . . . 2.31 110.836 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -94.4 -10.84 31.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 4.07 111.254 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.65 HD12 HD23 ' A' ' 20' ' ' LEU . 5.3 mt -70.58 142.63 51.71 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.275 0.56 . . . . 1.58 110.816 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.28 -41.36 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.305 -0.862 . . . . 3.03 109.953 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.32 -179.66 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.668 -0.697 . . . . 2.07 109.879 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.0 p90 -149.77 151.34 33.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.174 0.511 . . . . 1.74 110.692 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.71 106.6 11.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.788 -0.642 . . . . 3.6 110.406 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' HG22 ' A' ' 39' ' ' VAL . 61.3 ttp85 -84.46 146.67 27.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.821 -0.627 . . . . 2.51 110.384 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.06 134.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.672 -0.695 . . . . 1.7 110.379 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.5 m -164.1 31.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.427 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.2 t -74.36 -173.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.943 -0.571 . . . . 3.47 110.493 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.32 31.57 7.75 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -114.37 -38.62 4.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.084 0.468 . . . . 5.35 110.526 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 m -83.98 150.49 58.67 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.864 -0.607 . . . . 2.1 110.377 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.29 -26.44 2.77 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 121.814 1.676 . . . . 2.27 112.531 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -133.3 104.47 6.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.88 -0.6 . . . . 3.28 110.382 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -59.28 145.39 43.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.922 -0.581 . . . . 3.31 110.523 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -154.43 -178.67 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.228 0.537 . . . . 1.22 110.914 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.566 HG22 ' HG3' ' A' ' 28' ' ' ARG . 93.1 t -127.65 156.99 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.428 -0.805 . . . . 1.14 109.998 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' N ' HG12 ' A' ' 39' ' ' VAL . 29.8 mm -124.02 142.43 40.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.425 -0.807 . . . . 1.73 109.398 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.669 ' CE2' HG13 ' A' ' 58' ' ' VAL . 30.6 m-85 -120.02 147.17 45.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.351 0.596 . . . . 1.49 110.888 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.9 mtmt -124.8 132.03 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.256 -0.884 . . . . 2.95 109.917 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -99.37 -163.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 1.89 109.889 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -96.31 27.89 3.53 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.457 -0.338 . . . . 3.19 110.894 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.9 mt -121.68 18.91 11.15 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.346 -0.388 . . . . 2.68 111.066 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.5 32.24 21.54 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.052 0.453 . . . . 2.57 110.632 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -126.44 150.46 48.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.986 -0.552 . . . . 3.49 110.548 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.683 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -116.8 148.47 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.68 -0.691 . . . . 2.28 110.365 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.7 mm -135.78 142.88 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.21 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.8 m -77.43 149.5 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 1.82 110.326 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -155.84 138.14 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.712 -0.676 . . . . 1.23 110.606 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.9 p-10 -93.0 154.18 41.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 2.22 110.211 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.05 5.85 5.7 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 121.819 1.679 . . . . 1.21 113.657 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -103.42 14.38 31.53 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.718 -0.393 . . . . 3.39 111.287 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mmtt -100.53 154.22 18.73 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 121.051 0.453 . . . . 2.31 110.291 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -74.48 -34.04 63.01 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.936 -0.574 . . . . 3.69 110.856 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -83.86 -26.48 29.42 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.478 -0.489 . . . . 1.33 110.378 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.669 HG13 ' CE2' ' A' ' 41' ' ' PHE . 60.0 t -78.41 -43.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.079 0 N-CA-C 109.699 -0.482 . . . . 0.97 109.699 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -63.49 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 2.67 109.737 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -36.55 64.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.652 -0.704 . . . . 1.87 109.273 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -65.5 -48.11 73.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.327 -0.851 . . . . 1.05 109.901 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.0 ttp -62.96 -47.02 84.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.73 . . . . 1.92 110.225 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -65.66 -35.87 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.775 -0.648 . . . . 2.73 109.763 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 53.3 t80 -64.57 -48.21 75.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.311 -0.859 . . . . 1.59 109.862 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 77.2 mt -70.56 -42.29 71.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.341 0.591 . . . . 1.67 109.896 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.14 -22.67 67.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 1.95 110.583 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -68.43 -40.4 81.21 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.415 -0.357 . . . . 3.11 111.607 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.48 -30.21 70.96 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.266 -0.574 . . . . 4.18 110.936 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -59.47 132.13 88.26 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-N 116.019 -0.537 . . . . 2.77 110.598 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -84.01 -166.05 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 121.779 1.653 . . . . 4.16 112.57 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.29 166.64 4.94 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.9 -0.591 . . . . 5.4 110.296 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.14 105.77 1.67 Allowed 'Trans proline' 0 N--CA 1.474 0.36 0 C-N-CA 121.755 1.637 . . . . 7.87 112.629 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -80.97 139.75 49.79 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.762 -0.654 . . . . 11.77 110.305 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--N 1.346 0.434 0 C-N-CA 121.658 1.572 . . . . 11.1 112.556 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.547 -1.421 . . . . 13.64 109.547 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.16 165.96 16.7 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.796 1.664 . . . . 12.69 112.542 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.57 -70.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.755 -0.657 . . . . 10.41 110.401 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.414 ' C ' HG12 ' A' ' 5' ' ' VAL . 1.1 t -74.27 -172.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.818 -0.628 . . . . 8.23 110.426 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 5' ' ' VAL . 13.7 p 41.3 53.86 7.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 115.618 -0.719 . . . . 6.25 112.384 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 5' ' ' VAL . 39.7 Cg_endo -77.27 -58.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.477 0.521 0 C-N-CA 121.517 1.478 . . . . 5.11 112.684 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -135.68 32.32 3.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 4.67 110.56 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.8 p -94.42 177.1 6.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.915 -0.584 . . . . 3.87 110.281 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.5 m -80.01 177.33 9.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.878 -0.601 . . . . 2.4 109.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.81 88.77 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 2.06 110.344 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -78.2 164.52 24.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.783 -0.644 . . . . 2.43 110.434 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 60.83 74.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.838 -0.619 . . . . 3.12 110.434 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 51' ' ' ALA . 28.1 mt -64.49 140.26 58.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.656 -0.702 . . . . 1.94 110.401 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.08 136.47 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.767 -0.651 . . . . 1.66 110.522 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -97.55 -33.87 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 2.95 110.227 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -77.46 170.18 17.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.196 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 10.2 mtmt -100.1 126.99 46.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.506 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.92 139.94 27.61 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.728 -0.669 . . . . 1.44 109.996 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.92 158.84 31.06 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 121.467 1.445 . . . . 1.63 112.921 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.65 HD22 ' CD2' ' A' ' 64' ' ' TYR . 49.3 mt -80.45 -40.19 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.402 -0.817 . . . . 1.43 111.096 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.44 -30.75 67.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 2.31 110.915 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -90.36 -12.61 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 4.07 111.424 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -75.12 147.49 40.5 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.434 0.635 . . . . 1.58 111.077 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -117.87 -40.51 2.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.167 -0.924 . . . . 3.03 110.012 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.1 p -172.28 -171.2 0.8 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.733 -0.667 . . . . 2.07 109.942 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -153.32 153.97 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.159 0.504 . . . . 1.74 110.639 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -134.84 101.42 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 3.6 110.467 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.73 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.7 ttt180 -71.87 157.47 37.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.839 -0.619 . . . . 2.51 110.243 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 40' ' ' ILE . 48.8 mt -129.17 132.55 66.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 1.7 110.324 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -171.7 35.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.57 -0.741 . . . . 2.31 110.126 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 t -66.1 -50.67 63.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.82 -0.627 . . . . 3.47 110.553 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.4 -28.44 3.44 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.997 -0.841 . . . . 2.68 110.997 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -69.69 -32.5 71.15 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.072 0.463 . . . . 5.35 110.488 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 m -67.57 156.98 87.48 Favored Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 115.905 -0.589 . . . . 2.1 110.366 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.4 -27.02 2.97 Favored 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.778 1.652 . . . . 2.27 112.688 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.04 127.4 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 3.28 110.618 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.19 120.65 17.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.741 -0.663 . . . . 3.31 110.229 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.22 -178.91 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.912 -0.585 . . . . 1.22 110.702 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 HG22 ' HG3' ' A' ' 28' ' ' ARG . 45.3 t -121.23 158.59 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.632 -0.713 . . . . 1.14 110.186 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.932 HD11 HD11 ' A' ' 29' ' ' ILE . 23.6 mt -127.04 131.29 71.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.454 -0.794 . . . . 1.73 109.598 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.689 ' CE2' HG13 ' A' ' 58' ' ' VAL . 27.7 m-85 -111.89 149.58 31.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.258 0.552 . . . . 1.49 111.064 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.1 ttpm? -125.56 138.78 53.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.447 -0.797 . . . . 2.95 109.631 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.8 p -103.85 -172.29 2.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.443 -0.799 . . . . 1.89 110.392 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.26 -3.55 49.68 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.942 -0.572 . . . . 3.19 111.614 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mt -94.31 19.25 9.73 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.705 -0.398 . . . . 2.68 111.267 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.73 32.47 22.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.021 0.439 . . . . 2.57 110.866 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -121.57 147.23 46.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.983 -0.553 . . . . 3.49 110.496 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -112.91 155.12 25.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 2.28 110.468 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.2 mt -142.09 159.57 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.816 -0.629 . . . . 2.11 110.382 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.6 m -91.91 139.75 30.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.771 -0.65 . . . . 1.82 110.317 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.503 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -144.15 144.37 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.706 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.677 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.2 t0 -89.97 144.97 32.23 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.795 -0.639 . . . . 2.22 109.865 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.23 0.97 9.58 Favored 'Trans proline' 0 N--CA 1.477 0.51 0 C-N-CA 121.505 1.47 . . . . 1.21 113.55 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.27 24.11 13.42 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.641 -0.424 . . . . 3.39 110.838 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 58' ' ' VAL . 2.0 ttmt -100.41 169.61 8.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.05 0.452 . . . . 2.31 110.46 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -83.31 -47.66 11.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.927 -0.578 . . . . 3.69 110.767 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.461 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.2 p-90 -74.75 -27.45 60.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 1.33 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG13 ' CE2' ' A' ' 41' ' ' PHE . 47.8 t -75.31 -41.55 43.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 N-CA-C 109.245 -0.65 . . . . 0.97 109.245 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.23 -47.01 86.33 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 115.636 -0.711 . . . . 2.67 109.699 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -32.83 74.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.453 -0.794 . . . . 1.87 109.19 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.9 m -65.71 -52.81 48.39 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 115.438 -0.801 . . . . 1.05 110.474 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.8 ptm -63.27 -39.76 95.5 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.403 -0.519 . . . . 1.92 110.247 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -68.79 -36.23 78.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.431 0.634 . . . . 2.73 109.552 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.65 ' CD2' HD22 ' A' ' 20' ' ' LEU . 28.3 t80 -63.0 -52.63 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.184 -0.917 . . . . 1.59 109.683 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 26' ' ' TYR . 40.9 mt -65.59 -42.86 91.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.762 -0.654 . . . . 1.67 110.113 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.54 -33.05 74.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 1.95 110.223 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.35 -48.24 23.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.802 -0.635 . . . . 3.11 110.546 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.32 -33.54 76.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.592 -0.731 . . . . 4.18 110.479 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -84.87 150.34 55.57 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 115.858 -0.61 . . . . 2.77 110.481 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.48 57.35 6.09 Favored 'Trans proline' 0 N--CA 1.475 0.415 0 C-N-CA 121.884 1.723 . . . . 4.16 112.534 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 33.9 p 51.07 87.93 0.12 Allowed Pre-proline 0 N--CA 1.469 0.507 0 CA-C-N 115.767 -0.652 . . . . 5.4 111.173 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.73 164.83 18.18 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 121.813 1.675 . . . . 7.87 112.598 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.74 165.29 54.51 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.781 -0.645 . . . . 11.77 110.487 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.402 0 C-N-CA 121.885 1.723 . . . . 11.1 112.583 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 109.454 -1.458 . . . . 13.64 109.454 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 -174.11 2.01 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 121.824 1.683 . . . . 12.69 112.634 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.74 -178.9 6.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 10.41 110.388 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -110.81 -71.04 0.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.806 -0.633 . . . . 8.23 110.459 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.468 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.7 t -86.6 -45.27 0.56 Allowed Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 115.842 -0.617 . . . . 6.25 111.607 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.1 Cg_endo -79.82 145.86 18.22 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 121.277 1.318 . . . . 5.11 112.595 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.28 -61.32 1.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.766 -0.652 . . . . 4.67 110.477 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.6 m -136.28 -64.71 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 3.87 110.408 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 m -101.84 134.93 44.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 2.4 110.148 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.92 124.2 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.581 . . . . 2.06 110.418 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -114.64 -39.13 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 2.43 110.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -87.65 88.51 7.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 3.12 110.551 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD13 ' CG ' ' A' ' 52' ' ' ASP . 19.8 mt -62.39 139.86 58.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.859 -0.61 . . . . 1.94 110.359 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 138.48 49.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 1.66 110.491 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -99.6 -33.59 10.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.85 -0.614 . . . . 2.95 110.33 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -77.24 139.15 39.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.666 -0.697 . . . . 4.27 110.247 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 20.2 mttt -72.67 130.56 40.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 3.18 110.534 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 65.8 mt -89.82 139.93 27.77 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.891 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -76.87 157.78 34.89 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.311 1.341 . . . . 1.63 112.943 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 64' ' ' TYR . 49.5 mt -80.52 -46.67 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 1.43 111.224 -179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -56.13 -28.95 59.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.806 -0.634 . . . . 2.31 111.351 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -89.92 -12.7 38.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 4.07 111.544 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -75.9 145.32 40.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.264 0.554 . . . . 1.58 111.079 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -117.0 -40.59 3.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.383 -0.826 . . . . 3.03 110.211 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.4 p -179.35 158.78 0.88 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.831 -0.622 . . . . 2.07 109.952 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 19.2 p90 -120.04 161.54 20.78 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.152 0.501 . . . . 1.74 110.911 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -140.95 93.81 2.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 3.6 110.249 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.759 ' HG3' HG22 ' A' ' 39' ' ' VAL . 53.0 ttp180 -76.36 147.6 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.529 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 40' ' ' ILE . 44.4 mt -118.13 130.53 72.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.674 -0.694 . . . . 1.7 110.297 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.578 HG23 ' HG3' ' A' ' 37' ' ' LYS . 6.1 m -164.91 32.43 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.435 -0.802 . . . . 2.31 110.225 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -71.91 -60.81 2.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.833 -0.621 . . . . 3.47 110.765 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 150.99 -22.37 0.99 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.322 -0.711 . . . . 2.68 111.322 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -69.23 -31.14 69.5 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.942 0.401 . . . . 5.35 110.484 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.2 m -82.41 151.37 65.51 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.112 -0.494 . . . . 2.1 110.292 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.08 -25.95 3.14 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 121.85 1.7 . . . . 2.27 112.808 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -127.23 135.75 51.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 3.28 110.607 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HG3' HG23 ' A' ' 30' ' ' THR . 5.5 tttt -85.63 95.14 9.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.821 -0.627 . . . . 3.31 110.182 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.91 -177.75 3.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 1.22 110.52 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.759 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.4 t -125.2 158.1 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.788 -0.642 . . . . 1.14 110.405 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 29' ' ' ILE . 37.9 mt -128.88 130.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 1.73 109.718 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.2 m-85 -109.53 147.48 32.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 1.49 110.751 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -125.21 127.98 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 2.95 109.861 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -89.88 -176.62 4.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.659 -0.7 . . . . 1.89 110.373 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -79.96 -0.18 34.11 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.986 -0.552 . . . . 3.19 111.708 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mt -94.51 19.96 9.05 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.691 -0.404 . . . . 2.68 111.228 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.92 36.61 21.75 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.078 0.466 . . . . 2.57 110.736 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -126.22 157.86 37.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.013 -0.54 . . . . 3.49 110.465 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.14 154.44 37.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.867 -0.606 . . . . 2.28 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.4 mt -142.85 159.35 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.767 -0.651 . . . . 2.11 110.352 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 63.5 m -93.9 140.58 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.778 -0.646 . . . . 1.82 110.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.8 154.41 43.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.23 110.91 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.65 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.91 149.29 36.69 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 115.549 -0.75 . . . . 2.22 109.798 179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -80.72 4.85 6.58 Favored 'Trans proline' 0 CA--C 1.533 0.463 0 C-N-CA 121.599 1.532 . . . . 1.21 113.656 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -110.32 19.15 19.15 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 120.609 -0.436 . . . . 3.39 111.107 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 10.1 mptt -100.74 155.53 17.85 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.073 0.463 . . . . 2.31 110.372 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 pttt -76.01 -31.95 59.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.809 -0.632 . . . . 3.69 110.69 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.59 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.1 p-90 -84.46 -27.15 27.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.163 -0.471 . . . . 1.33 110.496 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.65 HG11 ' O ' ' A' ' 52' ' ' ASP . 98.8 t -74.59 -44.15 47.33 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.283 -0.636 . . . . 0.97 109.283 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -61.04 -47.68 85.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.663 -0.699 . . . . 2.67 109.714 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -33.37 75.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.371 -0.831 . . . . 1.87 109.327 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.69 -52.94 47.5 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.572 -0.74 . . . . 1.05 110.132 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.437 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 19.7 ttp -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.813 -0.63 . . . . 1.92 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.82 -41.87 74.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 2.73 109.917 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 20' ' ' LEU . 56.4 t80 -62.09 -39.94 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.334 -0.848 . . . . 1.59 109.884 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 65' ' ' LEU . 55.0 mt -74.43 -38.01 63.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.411 0.624 . . . . 1.67 109.935 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.74 -34.45 77.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.049 -0.978 . . . . 1.95 110.93 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.61 -5.33 54.81 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.418 0.525 . . . . 3.11 112.418 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -45.81 -29.84 1.47 Allowed 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.076 0.465 . . . . 4.18 111.645 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -58.24 109.9 2.17 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.753 -0.658 . . . . 2.77 110.439 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -83.55 -64.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.62 1.547 . . . . 4.16 113.043 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.0 p -122.75 92.3 49.17 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.579 . . . . 5.4 110.566 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.24 163.58 19.75 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 121.748 1.632 . . . . 7.87 112.523 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -100.63 159.26 30.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.778 -0.646 . . . . 11.77 110.475 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--O 1.22 -0.422 0 C-N-CA 121.831 1.687 . . . . 11.1 112.637 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.563 -1.415 . . . . 13.64 109.563 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.11 -28.46 1.98 Allowed 'Trans proline' 0 N--CA 1.475 0.419 0 C-N-CA 121.886 1.724 . . . . 12.69 112.58 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.57 141.36 58.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.865 -0.607 . . . . 10.41 110.444 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -140.03 -173.4 3.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.841 -0.618 . . . . 8.23 110.458 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -65.41 139.72 97.43 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.826 -0.625 . . . . 6.25 110.253 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -82.56 -64.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.668 1.579 . . . . 5.11 112.744 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -163.51 155.88 17.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 4.67 110.552 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.27 153.51 36.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 3.87 110.448 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 32.3 m -79.81 -170.39 2.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 2.4 109.968 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.71 -71.39 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.13 -0.487 . . . . 2.06 110.461 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 35.0 m-85 60.81 30.86 19.94 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.835 -0.62 . . . . 2.43 110.697 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -174.89 83.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.981 -0.554 . . . . 3.12 110.272 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 52' ' ' ASP . 29.9 mt -67.92 146.14 53.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.913 -0.585 . . . . 1.94 110.423 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.5 140.04 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.59 . . . . 1.66 110.463 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -98.92 -37.03 9.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 2.95 110.223 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -75.12 115.75 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.714 -0.675 . . . . 4.27 110.153 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -59.08 132.7 54.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.787 -0.642 . . . . 3.18 110.846 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.7 mt -89.87 139.86 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.749 -0.659 . . . . 1.44 109.999 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -78.18 158.67 30.12 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 121.472 1.448 . . . . 1.63 112.961 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.1 mt -80.63 -42.53 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.311 -0.859 . . . . 1.43 111.128 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -58.68 -29.36 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.097 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -93.9 -10.2 34.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 4.07 111.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.728 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -72.87 145.84 46.61 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.339 0.59 . . . . 1.58 111.031 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -116.85 -42.0 3.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.359 -0.837 . . . . 3.03 109.997 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 p 179.76 159.02 0.73 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.715 -0.675 . . . . 2.07 110.057 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.461 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 5.7 p90 -122.01 160.95 23.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.065 0.46 . . . . 1.74 110.64 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' HD12 ' A' ' 40' ' ' ILE . 5.2 tpm_? -138.58 112.46 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.929 -0.578 . . . . 3.6 110.563 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -93.8 146.82 23.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.737 -0.665 . . . . 2.51 110.29 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.7 mt -123.74 136.31 60.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.618 -0.719 . . . . 1.7 110.218 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.418 HG23 ' HD2' ' A' ' 37' ' ' LYS . 1.9 m -157.98 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 2.31 110.605 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.7 t -80.15 -172.58 3.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.043 -0.526 . . . . 3.47 110.376 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.88 43.92 1.98 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.656 -0.978 . . . . 2.68 110.656 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -121.03 -65.72 1.12 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.147 0.499 . . . . 5.35 110.509 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.3 m -71.0 150.13 94.93 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.691 -0.686 . . . . 2.1 110.419 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -82.87 -30.06 1.1 Allowed 'Trans proline' 0 N--CA 1.474 0.38 0 C-N-CA 121.872 1.714 . . . . 2.27 112.664 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -120.9 101.39 7.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.724 -0.671 . . . . 3.28 110.423 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD2' HG23 ' A' ' 30' ' ' THR . 2.0 pttp -61.6 108.02 0.9 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 3.31 110.376 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.55 -178.44 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.83 -0.623 . . . . 1.22 110.606 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -121.41 158.55 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 1.14 110.206 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.0 mp -134.77 130.29 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.342 -0.845 . . . . 1.73 109.708 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.706 ' HE2' HG13 ' A' ' 58' ' ' VAL . 55.5 m-85 -109.04 148.66 30.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.316 0.579 . . . . 1.49 111.187 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.728 ' O ' HD23 ' A' ' 23' ' ' LEU . 9.7 ttpt -121.15 140.75 51.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.297 -0.865 . . . . 2.95 109.657 179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -107.81 -167.5 1.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.466 -0.788 . . . . 1.89 110.1 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -97.02 26.39 4.71 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 116.38 -0.373 . . . . 3.19 110.978 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.28 19.99 12.04 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.333 -0.394 . . . . 2.68 110.92 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 34.14 20.44 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.113 0.482 . . . . 2.57 110.654 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.5 tttm -128.41 150.19 50.23 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.044 -0.525 . . . . 3.49 110.534 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.668 ' C ' HD12 ' A' ' 49' ' ' ILE . 1.1 m-20 -122.47 145.37 48.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.174 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -136.73 158.56 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.796 -0.638 . . . . 2.11 109.993 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.491 ' N ' HG22 ' A' ' 49' ' ' ILE . 30.3 m -95.02 149.91 20.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.253 -0.885 . . . . 1.82 110.388 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -144.87 156.98 44.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.669 -0.696 . . . . 1.23 110.808 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -102.67 148.09 35.01 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.643 -0.708 . . . . 2.22 109.879 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -80.02 3.56 7.5 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 C-N-CA 121.627 1.551 . . . . 1.21 113.626 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -110.25 19.09 19.25 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.657 -0.417 . . . . 3.39 111.095 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -100.7 161.88 13.3 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.024 0.44 . . . . 2.31 110.485 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -81.0 -43.02 20.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.835 -0.62 . . . . 3.69 110.65 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.502 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.7 p-90 -73.64 -28.96 62.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.926 -0.579 . . . . 1.33 110.245 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG13 ' HE2' ' A' ' 41' ' ' PHE . 87.0 t -73.68 -41.79 54.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.229 -0.656 . . . . 0.97 109.229 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.02 -46.4 89.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.67 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 1.87 109.229 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -64.5 -54.52 31.14 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.321 -0.854 . . . . 1.05 110.299 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.3 ptm -63.11 -40.18 96.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.03 -0.532 . . . . 1.92 110.268 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -66.7 -37.23 84.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.356 0.598 . . . . 2.73 109.843 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.768 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.1 t80 -63.6 -51.71 64.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.854 . . . . 1.59 109.782 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.4 mt -68.68 -40.21 80.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.715 -0.675 . . . . 1.67 109.857 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.33 -29.63 70.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.269 -0.878 . . . . 1.95 110.384 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -61.97 -31.37 71.71 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.058 0.456 . . . . 3.11 110.385 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -84.72 -66.57 0.88 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.944 -0.571 . . . . 4.18 110.618 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.15 150.58 43.56 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-N 115.777 -0.647 . . . . 2.77 110.502 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.5 122.33 4.02 Favored 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.864 1.709 . . . . 4.16 112.743 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 71' ' ' THR . 2.9 t -178.86 74.27 0.21 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.724 -0.671 . . . . 5.4 110.217 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.65 -167.91 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 121.951 1.767 . . . . 7.87 112.738 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 174.82 -53.02 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.732 -0.667 . . . . 11.77 110.502 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--N 1.347 0.46 0 C-N-CA 121.607 1.538 . . . . 11.1 112.548 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.586 -1.406 . . . . 13.64 109.586 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.23 -170.3 0.92 Allowed 'Trans proline' 0 N--CA 1.474 0.342 0 C-N-CA 121.956 1.771 . . . . 12.69 112.571 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.28 -63.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.829 -0.623 . . . . 10.41 110.419 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.95 125.91 47.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.771 -0.649 . . . . 8.23 110.398 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.476 ' O ' HG23 ' A' ' 5' ' ' VAL . 12.4 m -113.55 85.82 9.54 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.869 -0.605 . . . . 6.25 110.547 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.15 93.55 1.0 Allowed 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 121.776 1.651 . . . . 5.11 112.408 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.741 HG21 ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -139.49 122.56 16.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.821 -0.627 . . . . 4.67 110.527 -179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 m -163.07 136.45 5.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.649 -0.705 . . . . 3.87 110.236 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 m -103.61 157.02 17.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.973 -0.558 . . . . 2.4 110.526 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.9 t -94.99 152.63 18.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.643 -0.708 . . . . 2.06 110.474 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -123.32 -40.2 2.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.743 -0.662 . . . . 2.43 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -70.87 70.5 0.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.389 0.614 . . . . 3.12 110.21 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.683 HD22 ' C ' ' A' ' 51' ' ' ALA . 20.6 mt -65.75 163.17 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.581 -0.736 . . . . 1.94 110.601 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.91 139.86 30.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.76 -0.654 . . . . 1.66 110.524 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -94.33 -35.44 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.813 -0.63 . . . . 2.95 110.129 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -74.44 167.41 21.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.701 -0.681 . . . . 4.27 110.125 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 pttt -99.94 131.11 46.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.231 0.539 . . . . 3.18 110.553 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.3 mt -89.87 139.7 27.64 Favored Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.889 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -77.81 158.52 31.4 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 121.32 1.347 . . . . 1.63 112.813 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.846 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.6 mt -80.53 -40.06 26.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.421 -0.809 . . . . 1.43 110.888 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -59.66 -30.23 68.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.864 -0.607 . . . . 2.31 110.873 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 ttp85 -92.49 -10.6 37.21 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.018 -0.537 . . . . 4.07 111.462 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.7 143.7 39.85 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.352 0.596 . . . . 1.58 111.001 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.45 -34.84 5.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.384 -0.826 . . . . 3.03 110.273 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 -173.2 0.28 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.876 -0.602 . . . . 2.07 109.766 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -151.85 153.38 34.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.109 0.48 . . . . 1.74 110.603 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 95.47 4.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.852 -0.613 . . . . 3.6 110.514 -179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.529 ' HG3' HG22 ' A' ' 39' ' ' VAL . 21.1 ttp180 -73.77 147.66 43.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.925 -0.58 . . . . 2.51 110.193 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 40' ' ' ILE . 53.7 mt -130.64 136.34 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.704 -0.68 . . . . 1.7 110.354 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -171.92 35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.675 -0.693 . . . . 2.31 110.37 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -69.63 -172.86 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.816 -0.629 . . . . 3.47 110.503 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.3 -30.26 14.55 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.794 -0.922 . . . . 2.68 110.794 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.741 ' HB2' HG21 ' A' ' 7' ' ' THR . 5.0 mmmm -69.9 -36.0 75.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.058 0.456 . . . . 5.35 110.509 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.46 138.99 92.44 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 115.935 -0.575 . . . . 2.1 110.629 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -83.23 -33.7 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.638 1.559 . . . . 2.27 112.138 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -120.84 -172.7 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.42 -0.809 . . . . 3.28 110.097 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -129.67 137.67 50.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.052 -0.522 . . . . 3.31 110.359 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.1 -178.25 4.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.963 -0.562 . . . . 1.22 110.786 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.529 HG22 ' HG3' ' A' ' 28' ' ' ARG . 61.9 t -135.37 159.73 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.627 -0.715 . . . . 1.14 110.028 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 49' ' ' ILE . 34.6 mt -130.09 130.11 65.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.708 -0.678 . . . . 1.73 109.951 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.618 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.5 m-85 -109.56 150.85 27.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.277 0.561 . . . . 1.49 110.982 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -129.49 128.05 42.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.469 -0.787 . . . . 2.95 109.788 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.6 p -89.78 -166.7 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.465 -0.789 . . . . 1.89 110.113 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -97.34 28.66 3.57 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.212 -0.449 . . . . 3.19 110.684 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.4 mt -121.09 20.89 11.42 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.194 -0.457 . . . . 2.68 110.906 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.58 36.34 19.84 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.049 0.452 . . . . 2.57 110.675 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -131.83 152.21 51.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 3.49 110.469 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -119.36 154.51 33.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.817 -0.629 . . . . 2.28 110.335 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.5 mt -141.77 159.53 21.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.757 -0.656 . . . . 2.11 110.308 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 79.7 m -98.71 141.58 31.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.82 110.207 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.683 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -139.79 150.15 44.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.832 -0.622 . . . . 1.23 110.817 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.689 ' O ' HG11 ' A' ' 58' ' ' VAL . 5.0 t0 -90.06 143.22 29.53 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.606 -0.724 . . . . 2.22 109.731 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -79.63 -0.19 10.51 Favored 'Trans proline' 0 N--CA 1.475 0.428 0 C-N-CA 121.494 1.462 . . . . 1.21 113.458 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -110.28 24.28 13.19 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.705 -0.398 . . . . 3.39 110.811 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.33 175.13 5.81 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-O 120.998 0.428 . . . . 2.31 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.0 mtmt -89.1 -50.44 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.931 -0.577 . . . . 3.69 110.711 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.4 p-90 -71.04 -29.0 64.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 1.33 110.14 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.689 HG11 ' O ' ' A' ' 52' ' ' ASP . 53.9 t -72.1 -40.13 66.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.167 -0.679 . . . . 0.97 109.167 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.36 -41.51 85.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 2.67 109.408 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -33.66 71.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.492 -0.776 . . . . 1.87 109.082 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -68.26 -54.04 20.38 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.424 -0.807 . . . . 1.05 110.338 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -63.91 -34.88 78.95 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.085 -0.507 . . . . 1.92 110.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -72.61 -36.79 68.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.503 0.668 . . . . 2.73 109.317 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.846 ' CD2' HD22 ' A' ' 20' ' ' LEU . 27.9 t80 -62.68 -52.32 63.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.042 -0.981 . . . . 1.59 109.717 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 26' ' ' TYR . 74.6 mt -64.59 -41.26 96.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.714 -0.675 . . . . 1.67 110.135 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.23 -34.54 76.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.306 -0.861 . . . . 1.95 110.226 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.29 -2.24 58.48 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.859 -0.609 . . . . 3.11 111.653 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -90.92 20.77 4.58 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.906 -0.318 . . . . 4.18 111.731 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.7 151.2 84.65 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 120.719 -0.393 . . . . 2.77 110.371 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.88 121.81 3.73 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 121.806 1.67 . . . . 4.16 112.635 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 p -147.43 162.34 32.57 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.794 -0.639 . . . . 5.4 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.84 156.95 18.26 Favored 'Trans proline' 0 N--CA 1.475 0.392 0 C-N-CA 121.862 1.708 . . . . 7.87 112.569 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -63.83 134.11 95.79 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.823 -0.626 . . . . 11.77 110.305 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo . . . . . 0 C--N 1.347 0.492 0 C-N-CA 121.654 1.569 . . . . 11.1 112.624 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.551 -1.42 . . . . 13.64 109.551 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.33 112.06 2.18 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.891 1.727 . . . . 12.69 112.54 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.64 -179.39 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.824 -0.626 . . . . 10.41 110.534 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.3 t 60.4 84.97 0.12 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.846 -0.616 . . . . 8.23 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 t -80.28 139.7 52.38 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.859 -0.609 . . . . 6.25 110.163 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -82.54 -69.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 121.677 1.585 . . . . 5.11 112.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 7' ' ' THR . 4.8 t -164.46 121.09 1.58 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.064 0.459 . . . . 4.67 110.539 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 m -163.75 117.48 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.874 -0.603 . . . . 3.87 110.568 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.2 m -107.7 -52.88 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 2.4 110.286 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 178.71 78.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.588 -0.733 . . . . 2.06 110.078 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -99.71 163.73 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.83 -0.623 . . . . 2.43 109.923 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 63.43 65.03 0.77 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.657 0.742 . . . . 3.12 109.158 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 52' ' ' ASP . 13.3 mt -52.98 143.23 17.66 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.07 -0.968 . . . . 1.94 111.228 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.516 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -58.87 138.55 57.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.391 -0.822 . . . . 1.66 110.896 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -105.46 -33.94 7.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.672 -0.695 . . . . 2.95 110.09 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -79.89 127.43 32.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.703 -0.68 . . . . 4.27 110.133 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 15.1 mttm -61.49 130.48 46.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.894 -0.593 . . . . 3.18 110.659 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.6 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 67.7 mt -89.9 140.08 27.66 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.574 -0.739 . . . . 1.44 109.831 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -76.74 155.88 35.17 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 121.423 1.416 . . . . 1.63 113.174 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.1 mt -80.83 -47.47 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.091 -0.959 . . . . 1.43 111.269 -179.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -55.81 -29.01 59.06 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.772 -0.649 . . . . 2.31 111.353 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -89.85 -13.69 35.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 4.07 111.464 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.6 mt -71.14 145.65 49.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.362 0.601 . . . . 1.58 111.095 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -117.32 -41.67 2.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.242 -0.89 . . . . 3.03 110.055 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 t 179.78 154.33 0.52 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.707 -0.678 . . . . 2.07 109.96 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -118.43 158.9 24.43 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.137 0.494 . . . . 1.74 110.672 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -135.32 110.35 8.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.791 -0.641 . . . . 3.6 110.312 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -79.17 142.02 36.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 2.51 110.523 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 40' ' ' ILE . 46.4 mt -115.88 133.24 62.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.439 -0.801 . . . . 1.7 110.19 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -170.0 34.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.638 -0.71 . . . . 2.31 110.316 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -169.64 1.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.724 -0.671 . . . . 3.47 110.461 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.42 -15.42 40.91 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.917 -0.583 . . . . 2.68 111.708 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -96.78 26.85 4.26 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 120.733 -0.387 . . . . 5.35 111.158 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.23 130.41 23.04 Favored Pre-proline 0 CA--C 1.537 0.47 0 C-N-CA 120.691 -0.404 . . . . 2.1 109.939 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -84.84 -26.42 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 121.607 1.538 . . . . 2.27 112.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -125.48 98.98 5.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.792 -0.64 . . . . 3.28 110.546 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -66.25 154.02 41.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.903 -0.589 . . . . 3.31 110.367 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.15 -173.8 0.38 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.979 -0.555 . . . . 1.22 110.517 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 61.2 t -119.43 159.44 20.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.904 -0.589 . . . . 1.14 110.029 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.067 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -127.32 142.37 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.65 -0.704 . . . . 1.73 109.642 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.5 m-85 -122.83 147.41 46.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.424 0.631 . . . . 1.49 111.098 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.734 ' O ' HD23 ' A' ' 23' ' ' LEU . 51.5 tttt -124.3 140.69 52.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.178 -0.919 . . . . 2.95 109.699 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.3 p -108.04 -164.23 0.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.474 -0.785 . . . . 1.89 109.904 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -97.05 29.09 3.24 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.901 0.381 . . . . 3.19 110.789 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.79 18.84 9.43 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.24 -0.436 . . . . 2.68 111.045 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.01 19.72 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.207 0.527 . . . . 2.57 110.745 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -134.24 154.65 51.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 3.49 110.613 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.682 ' O ' HD13 ' A' ' 49' ' ' ILE . 5.4 m-20 -123.57 149.57 45.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.663 -0.699 . . . . 2.28 110.494 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 48' ' ' ASP . 37.8 mm -136.71 151.6 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.808 -0.633 . . . . 2.11 110.181 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.3 m -88.6 143.27 27.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.911 -0.586 . . . . 1.82 110.248 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.32 160.2 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.75 -0.659 . . . . 1.23 110.564 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.687 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -115.86 155.03 48.23 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.838 -0.619 . . . . 2.22 109.904 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -79.29 4.21 6.79 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 C-N-CA 121.71 1.607 . . . . 1.21 113.576 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.99 10.79 40.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.66 -0.416 . . . . 3.39 111.274 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.52 154.8 18.25 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.041 0.448 . . . . 2.31 110.486 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -77.19 -37.41 53.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.82 -0.627 . . . . 3.69 110.603 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.6 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -78.61 -27.22 45.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.956 -0.566 . . . . 1.33 110.482 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.687 HG11 ' O ' ' A' ' 52' ' ' ASP . 94.4 t -74.43 -42.23 49.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.092 0 N-CA-C 109.039 -0.726 . . . . 0.97 109.039 178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -62.21 -48.14 81.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.582 -0.735 . . . . 2.67 109.644 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -34.16 77.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.367 -0.833 . . . . 1.87 109.409 178.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -65.25 -52.75 52.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.393 -0.821 . . . . 1.05 110.132 179.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.9 ttp -62.86 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.809 -0.632 . . . . 1.92 110.257 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -65.8 -38.78 89.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.347 0.594 . . . . 2.73 109.764 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.4 t80 -64.4 -51.48 62.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.281 -0.872 . . . . 1.59 109.581 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.9 mt -65.7 -40.73 92.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.554 -0.748 . . . . 1.67 110.012 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.15 -38.15 87.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.299 -0.864 . . . . 1.95 110.232 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.09 -28.67 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.761 -0.654 . . . . 3.11 110.522 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.3 tttm -59.28 -31.29 68.98 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.139 -0.482 . . . . 4.18 110.699 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 m -81.09 114.01 45.47 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.91 -0.586 . . . . 2.77 110.265 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.42 -167.02 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 121.596 1.531 . . . . 4.16 112.619 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 50.5 p -119.5 152.76 53.44 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.817 -0.628 . . . . 5.4 110.365 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.88 76.22 4.41 Favored 'Trans proline' 0 N--CA 1.475 0.424 0 C-N-CA 121.86 1.706 . . . . 7.87 112.569 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -170.65 85.37 0.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.839 -0.619 . . . . 11.77 110.499 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.22 -0.391 0 C-N-CA 121.869 1.713 . . . . 11.1 112.592 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.399 0 N-CA-C 109.501 -1.44 . . . . 13.64 109.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.06 139.64 10.83 Favored 'Trans proline' 0 N--CA 1.474 0.359 0 C-N-CA 121.811 1.674 . . . . 12.69 112.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -173.88 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.828 -0.624 . . . . 10.41 110.429 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.0 t -136.95 -67.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.801 -0.636 . . . . 8.23 110.374 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.1 p -105.88 140.22 21.0 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.879 -0.601 . . . . 6.25 109.992 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.2 Cg_endo -82.49 -42.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 121.621 1.547 . . . . 5.11 112.599 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.0 m -99.33 141.04 32.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.774 -0.648 . . . . 4.67 110.494 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.3 m -132.38 -64.87 0.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.793 -0.64 . . . . 3.87 110.352 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.2 m -129.0 -170.48 2.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.707 -0.678 . . . . 2.4 109.955 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.98 118.62 23.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.154 0.502 . . . . 2.06 110.32 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -119.21 153.06 35.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.654 -0.703 . . . . 2.43 110.117 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.33 82.66 0.16 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.997 -0.547 . . . . 3.12 110.21 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HB2' ' A' ' 52' ' ' ASP . 24.7 mt -61.06 140.26 57.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.753 -0.658 . . . . 1.94 110.559 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.26 145.08 56.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.679 -0.691 . . . . 1.66 110.439 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -100.19 -58.6 1.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.808 -0.633 . . . . 2.95 110.181 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -63.15 127.02 29.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.658 -0.701 . . . . 4.27 110.106 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.07 140.05 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.954 -0.566 . . . . 3.18 110.863 -179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 69.3 mt -89.81 139.7 27.75 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.547 -0.751 . . . . 1.44 109.702 179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.0 Cg_endo -74.65 156.48 44.56 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.294 1.329 . . . . 1.63 112.957 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.4 mt -80.46 -43.38 20.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.144 -0.935 . . . . 1.43 111.242 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -58.78 -29.5 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 2.31 111.013 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -89.77 -14.1 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 4.07 111.394 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 65' ' ' LEU . 5.1 mt -72.65 146.44 46.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.495 0.664 . . . . 1.58 111.281 -179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -120.71 -41.79 2.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.132 -0.94 . . . . 3.03 110.199 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.63 156.32 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.905 -0.589 . . . . 2.07 109.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.453 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 18.5 p90 -119.97 171.04 8.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.171 0.51 . . . . 1.74 110.86 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -149.13 112.63 5.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.679 . . . . 3.6 110.255 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.707 ' HG3' HG22 ' A' ' 39' ' ' VAL . 32.7 ttp180 -87.16 149.73 24.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.886 -0.597 . . . . 2.51 110.534 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 40' ' ' ILE . 55.7 mt -118.87 138.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.604 -0.726 . . . . 1.7 110.302 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -154.2 28.27 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.76 -0.655 . . . . 2.31 110.422 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -76.33 174.38 10.27 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.236 0.541 . . . . 3.47 110.675 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.88 -22.46 20.6 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.227 -0.749 . . . . 2.68 111.227 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -69.46 -30.19 68.04 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.847 0.356 . . . . 5.35 110.683 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.6 m -77.74 153.11 80.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.205 -0.452 . . . . 2.1 110.268 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.88 -23.24 3.89 Favored 'Trans proline' 0 N--CA 1.474 0.358 0 C-N-CA 121.931 1.754 . . . . 2.27 113.152 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -141.35 162.56 35.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.322 0.582 . . . . 3.28 111.053 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -101.13 116.84 33.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.338 -0.847 . . . . 3.31 110.035 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -142.11 -178.39 5.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.15 0.5 . . . . 1.22 110.951 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.707 HG22 ' HG3' ' A' ' 28' ' ' ARG . 46.2 t -125.13 158.85 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.561 -0.745 . . . . 1.14 110.261 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.935 HD11 HD11 ' A' ' 29' ' ' ILE . 1.3 mp -127.19 130.89 71.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.497 -0.774 . . . . 1.73 109.417 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 58' ' ' VAL . 37.4 m-85 -109.29 147.99 31.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.405 0.621 . . . . 1.49 110.739 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -126.98 130.58 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.859 . . . . 2.95 109.85 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.3 p -90.66 -166.41 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.725 -0.67 . . . . 1.89 109.825 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -97.58 29.26 3.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.881 0.372 . . . . 3.19 110.779 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -124.57 21.75 8.45 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.206 -0.452 . . . . 2.68 110.902 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.21 35.18 18.47 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.128 0.49 . . . . 2.57 110.556 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -125.66 151.13 46.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.475 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.03 152.52 38.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.889 -0.596 . . . . 2.28 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 50' ' ' CYS . 56.0 mt -142.49 159.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.649 -0.705 . . . . 2.11 110.067 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.499 ' N ' HG22 ' A' ' 49' ' ' ILE . 24.7 m -95.18 149.86 20.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 1.82 110.423 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' HD2' ' A' ' 41' ' ' PHE . . . -150.74 155.68 39.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.727 -0.67 . . . . 1.23 110.713 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.66 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -106.2 146.96 34.0 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.706 -0.679 . . . . 2.22 109.786 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -80.36 6.17 5.56 Favored 'Trans proline' 0 N--CA 1.476 0.486 0 C-N-CA 121.668 1.579 . . . . 1.21 113.586 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -109.59 17.21 21.58 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.69 -0.404 . . . . 3.39 111.141 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -100.58 163.03 12.53 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.061 0.458 . . . . 2.31 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -80.57 -39.57 27.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.858 -0.61 . . . . 3.69 110.589 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.466 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.1 p-90 -77.62 -27.65 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.993 -0.549 . . . . 1.33 110.559 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 52' ' ' ASP . 99.7 t -75.89 -41.16 39.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 N-CA-C 109.127 -0.694 . . . . 0.97 109.127 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -61.87 -47.54 84.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.696 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.51 -35.4 80.17 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.421 -0.809 . . . . 1.87 109.322 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -63.83 -50.79 67.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.348 -0.842 . . . . 1.05 110.176 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.4 ttp -61.03 -44.16 97.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.802 -0.635 . . . . 1.92 110.453 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.9 -39.5 87.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.359 0.6 . . . . 2.73 109.74 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.512 ' CD2' HD22 ' A' ' 20' ' ' LEU . 81.4 t80 -63.4 -49.72 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.24 -0.891 . . . . 1.59 109.652 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD11 HD22 ' A' ' 23' ' ' LEU . 82.4 mt -67.87 -42.7 80.86 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.76 -0.654 . . . . 1.67 109.966 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -60.77 -26.94 67.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.647 -0.706 . . . . 1.95 110.257 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -74.0 -9.95 59.15 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.009 -0.541 . . . . 3.11 112.06 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -90.36 21.22 3.97 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 120.142 -0.623 . . . . 4.18 111.866 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -57.54 148.29 56.31 Favored Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.906 -0.318 . . . . 2.77 110.648 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.49 122.91 3.69 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 121.813 1.675 . . . . 4.16 112.708 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -86.69 -51.84 0.44 Allowed Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 115.85 -0.614 . . . . 5.4 110.615 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.9 Cg_endo -82.65 127.88 5.11 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 121.691 1.594 . . . . 7.87 112.57 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt 60.11 84.42 0.2 Allowed Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.815 -0.63 . . . . 11.77 110.574 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.865 1.71 . . . . 11.1 112.538 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.508 -1.437 . . . . 13.64 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.23 -48.62 0.05 OUTLIER 'Trans proline' 0 N--CA 1.475 0.391 0 C-N-CA 121.817 1.678 . . . . 12.69 112.461 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.19 32.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 10.41 110.377 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.15 51.78 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.437 0.637 . . . . 8.23 110.408 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.458 HG13 ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -89.47 -48.08 0.4 Allowed Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 115.709 -0.678 . . . . 6.25 110.415 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' HG13 ' A' ' 5' ' ' VAL . 40.4 Cg_endo -83.06 169.25 13.09 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 121.445 1.43 . . . . 5.11 112.548 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.9 m -135.43 -62.22 0.71 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 4.67 110.466 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.13 145.1 25.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 3.87 110.402 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.1 m -91.52 -177.97 4.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.827 -0.624 . . . . 2.4 110.255 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.84 111.68 13.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.559 . . . . 2.06 110.205 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -105.14 156.42 18.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.24 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 61.21 81.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.906 -0.588 . . . . 3.12 110.421 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.603 HD13 ' CG ' ' A' ' 52' ' ' ASP . 13.8 mt -63.4 140.11 58.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 1.94 110.285 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 137.76 57.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.791 -0.64 . . . . 1.66 110.529 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -34.7 10.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.912 -0.586 . . . . 2.95 109.973 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.58 147.51 41.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 4.27 110.209 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -83.75 126.73 33.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 3.18 110.562 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.6 mt -89.66 139.93 28.01 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.56 -0.746 . . . . 1.44 109.948 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -75.92 156.45 38.94 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.325 1.35 . . . . 1.63 112.939 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 23' ' ' LEU . 73.1 mt -80.7 -38.32 29.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.187 -0.915 . . . . 1.43 111.171 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -58.95 -30.65 68.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 2.31 111.1 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -90.02 -12.4 38.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 4.07 111.52 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD12 HD23 ' A' ' 20' ' ' LEU . 7.7 mt -74.49 147.22 42.1 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.479 0.657 . . . . 1.58 111.244 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -118.69 -40.39 2.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.205 -0.907 . . . . 3.03 110.303 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 t -175.72 160.91 2.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.829 -0.623 . . . . 2.07 109.888 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.4 p90 -127.31 163.21 24.46 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.478 -0.489 . . . . 1.74 110.839 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.714 ' O ' HD12 ' A' ' 40' ' ' ILE . 0.5 OUTLIER -140.18 107.57 5.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 3.6 110.385 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' CG ' HG22 ' A' ' 39' ' ' VAL . 4.9 ttm180 -91.9 142.53 27.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.861 -0.608 . . . . 2.51 110.415 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 30' ' ' THR . 54.7 mt -123.06 144.78 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 1.7 110.295 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -162.44 31.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.808 -0.633 . . . . 2.31 110.477 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -78.43 -172.29 2.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.549 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.94 37.75 3.66 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.759 -0.936 . . . . 2.68 110.759 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -118.82 -42.89 2.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.11 0.481 . . . . 5.35 110.407 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.6 m -73.11 159.23 85.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 115.745 -0.661 . . . . 2.1 110.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.37 -26.59 3.22 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 121.797 1.665 . . . . 2.27 112.572 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.43 138.82 25.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 3.28 110.463 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -69.7 154.82 41.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.823 -0.626 . . . . 3.31 110.309 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.02 -177.62 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.579 . . . . 1.22 110.546 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG12 ' N ' ' A' ' 40' ' ' ILE . 38.9 t -133.05 159.59 43.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.68 -0.691 . . . . 1.14 110.206 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.5 mp -128.46 130.47 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.494 -0.775 . . . . 1.73 109.661 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.65 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.8 m-85 -109.24 149.07 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.381 0.61 . . . . 1.49 111.177 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.3 mttt -125.33 131.59 53.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.219 -0.9 . . . . 2.95 109.782 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.6 p -99.23 -165.14 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 1.89 109.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -97.67 29.51 3.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.929 0.395 . . . . 3.19 110.697 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mt -121.98 18.76 10.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.143 -0.48 . . . . 2.68 111.081 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.6 33.66 22.09 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.026 0.441 . . . . 2.57 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -132.06 146.05 51.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.061 -0.518 . . . . 3.49 110.488 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -113.84 156.41 23.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.635 . . . . 2.28 110.326 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 50' ' ' CYS . 52.9 mt -141.84 159.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.8 -0.636 . . . . 2.11 110.26 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 49' ' ' ILE . 90.9 m -91.51 144.74 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.47 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -147.75 148.11 30.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 1.23 110.564 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.717 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -96.35 146.94 32.19 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.742 -0.663 . . . . 2.22 109.81 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -80.29 4.67 6.62 Favored 'Trans proline' 0 CA--C 1.532 0.416 0 C-N-CA 121.585 1.524 . . . . 1.21 113.458 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -109.54 15.56 22.84 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.771 -0.372 . . . . 3.39 111.113 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.29 161.45 13.59 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.042 0.449 . . . . 2.31 110.085 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -72.96 -61.23 1.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.773 -0.649 . . . . 3.69 110.791 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.51 ' CE2' HG23 ' A' ' 58' ' ' VAL . 59.5 p-90 -57.3 -30.92 65.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.461 -0.791 . . . . 1.33 110.611 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.6 t -72.18 -37.84 60.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 108.814 -0.81 . . . . 0.97 108.814 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -66.12 -46.55 77.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.515 -0.766 . . . . 2.67 109.355 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -68.06 -32.23 72.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.428 -0.805 . . . . 1.87 109.138 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 7.4 m -64.69 -53.99 38.74 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.543 -0.753 . . . . 1.05 110.43 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.4 ptm -63.3 -41.35 98.94 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 1.92 110.383 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.12 -36.92 82.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.299 0.571 . . . . 2.73 109.781 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' CD2' HD22 ' A' ' 20' ' ' LEU . 52.5 t80 -64.59 -52.87 55.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.375 -0.83 . . . . 1.59 109.588 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 65' ' ' LEU . 52.2 mt -65.5 -39.79 92.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.545 -0.752 . . . . 1.67 110.006 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.83 -32.65 70.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.429 -0.805 . . . . 1.95 110.045 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -89.52 12.74 15.71 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.757 -0.656 . . . . 3.11 111.617 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -58.95 -31.48 68.76 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.069 0.462 . . . . 4.18 110.826 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.8 p -59.51 161.4 10.83 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.847 -0.615 . . . . 2.77 110.602 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.69 -163.37 0.22 Allowed 'Trans proline' 0 N--CA 1.474 0.361 0 C-N-CA 121.854 1.703 . . . . 4.16 112.341 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.416 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.2 OUTLIER -50.12 -50.22 70.91 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 116.263 -0.426 . . . . 5.4 111.718 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.0 Cg_endo -82.01 167.11 16.4 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.646 1.564 . . . . 7.87 112.602 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -100.24 147.4 33.48 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 115.841 -0.618 . . . . 11.77 110.316 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--N 1.346 0.396 0 C-N-CA 121.839 1.693 . . . . 11.1 112.484 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.52 -1.432 . . . . 13.64 109.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.92 169.29 14.92 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 121.881 1.721 . . . . 12.69 112.576 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.03 53.16 3.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.351 0.596 . . . . 10.41 110.405 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.1 p 55.62 172.78 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.618 -0.719 . . . . 8.23 110.926 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.0 p -67.53 140.75 94.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.781 -0.645 . . . . 6.25 110.052 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.7 Cg_endo -82.59 -175.56 2.52 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 121.715 1.61 . . . . 5.11 112.583 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.513 HG22 ' H ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -88.31 174.86 7.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.82 -0.627 . . . . 4.67 110.309 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.513 ' H ' HG22 ' A' ' 7' ' ' THR . 5.1 t -91.19 12.71 19.24 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.81 -0.632 . . . . 3.87 111.444 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.3 m -109.25 174.97 5.63 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.061 0.458 . . . . 2.4 110.173 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -116.35 102.03 9.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.985 -0.552 . . . . 2.06 110.372 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -97.57 -33.25 11.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.718 -0.674 . . . . 2.43 110.457 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -90.13 76.7 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.78 -0.646 . . . . 3.12 110.429 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.715 HD13 ' HB3' ' A' ' 52' ' ' ASP . 28.0 mt -62.94 140.2 58.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.724 -0.671 . . . . 1.94 110.373 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.65 140.2 51.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 1.66 110.245 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -93.75 -55.91 3.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.895 -0.593 . . . . 2.95 110.337 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -63.31 170.61 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.709 -0.678 . . . . 4.27 110.026 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -98.12 139.24 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.168 0.509 . . . . 3.18 110.506 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 60.6 mt -89.9 139.62 27.6 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 115.698 -0.683 . . . . 1.44 109.865 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.95 155.42 34.05 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 121.382 1.388 . . . . 1.63 112.92 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.4 mt -80.94 -44.58 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.228 -0.896 . . . . 1.43 111.203 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -57.87 -29.39 64.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 2.31 111.151 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -92.76 -12.46 31.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.241 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.9 mt -70.41 140.86 52.15 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.203 0.525 . . . . 1.58 110.796 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -112.54 -36.82 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.483 -0.781 . . . . 3.03 110.149 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -176.41 -177.7 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.669 -0.696 . . . . 2.07 109.802 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.7 p90 -150.57 153.21 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.14 0.495 . . . . 1.74 110.706 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mtt-85 -134.01 119.82 19.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.684 -0.689 . . . . 3.6 110.573 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' CG ' HG22 ' A' ' 39' ' ' VAL . 8.9 tmm_? -101.12 147.98 25.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.912 -0.585 . . . . 2.51 110.33 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.0 mt -126.91 144.5 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.716 -0.675 . . . . 1.7 110.388 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 30' ' ' THR . 20.4 m -163.83 31.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 2.31 110.447 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.3 t -80.8 -172.36 3.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.927 -0.579 . . . . 3.47 110.498 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -103.29 32.15 7.9 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.807 -0.917 . . . . 2.68 110.807 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -111.38 -37.5 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.105 0.478 . . . . 5.35 110.428 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 m -86.9 155.34 55.64 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 2.1 110.385 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.35 -27.84 2.62 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.861 1.708 . . . . 2.27 112.569 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -141.77 124.91 16.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 3.28 110.371 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -60.68 162.02 7.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.853 -0.612 . . . . 3.31 110.513 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.57 -177.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.905 -0.589 . . . . 1.22 110.513 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -130.05 158.66 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.758 -0.655 . . . . 1.14 110.141 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 47.8 mt -127.85 130.61 70.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.323 -0.853 . . . . 1.73 109.534 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -109.07 148.34 30.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.261 0.553 . . . . 1.49 110.866 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.794 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.4 ttmt -122.7 138.49 54.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.471 -0.786 . . . . 2.95 109.751 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.6 p -104.01 -166.82 1.29 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.336 -0.847 . . . . 1.89 109.962 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -97.49 29.07 3.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.861 0.363 . . . . 3.19 110.684 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.91 19.47 10.11 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.256 -0.429 . . . . 2.68 111.041 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.88 37.06 21.85 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.176 0.512 . . . . 2.57 110.662 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -130.68 152.29 50.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.823 -0.626 . . . . 3.49 110.581 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.671 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.4 m-20 -118.56 146.94 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.71 -0.677 . . . . 2.28 110.241 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.671 HD13 ' O ' ' A' ' 48' ' ' ASP . 40.2 mm -135.03 144.77 33.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 2.11 110.426 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.0 m -82.79 145.14 29.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.816 -0.629 . . . . 1.82 110.148 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.01 140.5 26.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.881 -0.6 . . . . 1.23 110.703 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.715 ' HB3' HD13 ' A' ' 13' ' ' LEU . 9.7 p-10 -91.74 150.48 40.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.651 -0.704 . . . . 2.22 110.071 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 10.15 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.526 0 C-N-CA 121.735 1.623 . . . . 1.21 113.741 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.25 13.77 22.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.411 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.72 152.31 20.62 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 120.479 -0.488 . . . . 2.31 110.497 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -72.54 -31.71 65.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.738 -0.665 . . . . 3.69 110.998 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.474 ' CE2' HG23 ' A' ' 58' ' ' VAL . 68.2 p-90 -83.89 -27.89 28.32 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.436 -0.505 . . . . 1.33 110.257 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.3 t -75.07 -46.73 38.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.375 -0.602 . . . . 0.97 109.375 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -39.12 88.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.824 -0.625 . . . . 2.67 109.942 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -34.72 67.69 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.063 -0.717 . . . . 1.87 109.063 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 2.2 m -64.82 -51.77 60.36 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.32 -0.855 . . . . 1.05 110.205 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.7 ptt? -63.51 -41.82 98.5 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.996 -0.547 . . . . 1.92 110.249 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -64.62 -36.02 82.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.839 -0.619 . . . . 2.73 109.801 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.677 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.9 t80 -62.83 -54.82 32.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.358 -0.837 . . . . 1.59 109.743 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD13 ' CD1' ' A' ' 26' ' ' TYR . 75.9 mt -64.8 -41.09 96.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.59 -0.732 . . . . 1.67 109.953 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.37 -34.7 77.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 1.95 110.019 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -90.21 12.42 18.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.723 -0.671 . . . . 3.11 111.469 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.18 21.91 4.09 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 121.0 -0.28 . . . . 4.18 111.628 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.404 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 0.4 OUTLIER -60.71 -52.84 69.71 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.771 -0.372 . . . . 2.77 110.811 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 69' ' ' SER . 39.3 Cg_endo -80.19 -62.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 121.692 1.595 . . . . 4.16 112.985 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -144.63 148.22 39.03 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 115.928 -0.578 . . . . 5.4 110.46 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -82.27 84.17 1.89 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.78 1.653 . . . . 7.87 112.539 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -148.66 152.39 37.69 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 115.866 -0.607 . . . . 11.77 110.494 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.474 0.378 0 C-N-CA 121.845 1.696 . . . . 11.1 112.599 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.545 -1.422 . . . . 13.64 109.545 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.15 60.01 7.26 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 121.835 1.69 . . . . 12.69 112.531 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.43 -173.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.731 -0.668 . . . . 10.41 110.46 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 64.0 m -72.53 -70.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.871 -0.604 . . . . 8.23 110.443 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.0 p -64.48 112.81 8.59 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-N 115.885 -0.598 . . . . 6.25 110.152 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -82.41 -62.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 121.547 1.498 . . . . 5.11 112.731 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -163.91 174.43 11.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.034 -0.53 . . . . 4.67 110.575 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.5 p -114.65 -54.85 2.54 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.79 -0.641 . . . . 3.87 109.768 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 m -93.58 -170.39 2.35 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.102 -0.954 . . . . 2.4 109.695 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 t -163.52 143.69 8.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 2.06 110.848 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -116.39 -39.53 3.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 2.43 110.436 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -80.15 91.6 5.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.837 -0.619 . . . . 3.12 110.478 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 52' ' ' ASP . 18.9 mt -77.14 140.61 40.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.774 -0.648 . . . . 1.94 110.497 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.92 146.1 55.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.768 -0.651 . . . . 1.66 110.589 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -107.43 -37.08 6.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.769 -0.65 . . . . 2.95 110.296 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.17 129.07 34.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.743 -0.662 . . . . 4.27 110.366 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 1.2 pttp -61.45 138.66 58.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.807 -0.633 . . . . 3.18 110.653 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.451 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.9 mt -96.98 140.1 21.91 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.573 -0.739 . . . . 1.44 109.923 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -78.02 157.6 30.62 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.349 1.366 . . . . 1.63 112.855 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.883 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.8 mt -80.68 -42.91 21.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.278 -0.874 . . . . 1.43 111.132 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -58.4 -29.73 66.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 2.31 111.086 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -91.44 -12.82 33.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.995 -0.548 . . . . 4.07 111.369 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -73.8 145.54 44.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.346 0.593 . . . . 1.58 111.083 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -119.06 -41.27 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.343 -0.844 . . . . 3.03 110.15 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.3 p -169.89 -177.03 2.5 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.798 -0.637 . . . . 2.07 109.934 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.579 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.67 148.47 27.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.29 0.567 . . . . 1.74 110.809 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -120.88 108.96 14.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 3.6 110.177 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -80.53 145.01 32.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.404 0.621 . . . . 2.51 110.649 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.659 HD11 HG13 ' A' ' 40' ' ' ILE . 1.8 mm -104.67 -158.34 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.284 -0.871 . . . . 1.7 108.654 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.53 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 73.78 29.26 1.5 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.971 0.415 . . . . 2.31 110.347 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.4 t -75.96 -32.71 59.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 3.47 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.42 -31.2 2.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.774 -0.931 . . . . 2.68 110.774 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -32.64 61.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.95 0.405 . . . . 5.35 110.89 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.4 m -81.74 149.16 63.35 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.059 -0.518 . . . . 2.1 110.482 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -83.52 -29.11 1.18 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 121.862 1.708 . . . . 2.27 112.822 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -113.91 174.46 5.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 3.28 110.784 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -108.74 140.07 42.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.611 -0.722 . . . . 3.31 110.123 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -174.25 -173.06 0.75 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.182 0.515 . . . . 1.22 110.978 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 93.2 t -144.46 159.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.474 -0.784 . . . . 1.14 109.592 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.659 HG13 HD11 ' A' ' 29' ' ' ILE . 37.1 mt -127.73 134.41 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.783 -0.644 . . . . 1.73 109.602 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.628 ' CE2' HG13 ' A' ' 58' ' ' VAL . 34.5 m-85 -112.89 148.57 34.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.275 0.56 . . . . 1.49 110.955 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.782 ' O ' HD23 ' A' ' 23' ' ' LEU . 42.2 tttp -123.53 138.52 54.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.392 -0.822 . . . . 2.95 109.853 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 38.8 p -101.64 -169.75 1.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.396 -0.82 . . . . 1.89 110.142 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -98.48 29.34 3.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 3.19 110.763 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.21 22.2 7.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 2.68 110.899 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.01 45.68 9.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.329 0.585 . . . . 2.57 110.606 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -140.59 152.27 45.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.757 -0.656 . . . . 3.49 110.45 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -122.47 152.28 40.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 2.28 110.291 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.7 mt -137.93 159.76 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 2.11 110.223 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 96.1 m -98.18 144.51 27.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.728 -0.669 . . . . 1.82 110.413 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -147.03 153.03 39.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 1.23 110.814 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.646 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.6 t0 -102.34 145.83 31.22 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 115.603 -0.726 . . . . 2.22 109.75 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -77.44 1.67 8.54 Favored 'Trans proline' 0 N--CA 1.478 0.582 0 C-N-CA 121.512 1.474 . . . . 1.21 113.701 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -100.82 13.49 34.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.621 -0.432 . . . . 3.39 111.149 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -100.68 156.63 17.21 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.113 0.482 . . . . 2.31 110.387 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -75.26 -37.55 60.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.87 -0.604 . . . . 3.69 110.919 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.52 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.8 p-90 -79.09 -29.15 43.19 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 1.33 110.45 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.646 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.5 t -74.28 -41.53 50.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.443 -0.577 . . . . 0.97 109.443 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -63.04 -46.26 88.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 2.67 109.711 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.7 -35.69 79.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.539 -0.755 . . . . 1.87 109.341 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -65.06 -50.62 65.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.341 -0.845 . . . . 1.05 110.042 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.3 ttm -62.92 -45.04 94.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.755 -0.657 . . . . 1.92 110.098 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -64.47 -34.58 78.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.809 -0.632 . . . . 2.73 109.708 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.883 ' CD2' HD22 ' A' ' 20' ' ' LEU . 36.5 t80 -62.92 -53.81 48.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.303 -0.862 . . . . 1.59 109.978 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 26' ' ' TYR . 51.1 mt -65.15 -40.57 94.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.445 0.64 . . . . 1.67 110.03 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.81 -31.65 71.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.14 -0.936 . . . . 1.95 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -89.5 -36.55 15.32 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.034 -0.53 . . . . 3.11 110.505 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -92.0 25.08 2.95 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.745 -0.661 . . . . 4.18 111.462 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -54.4 164.21 1.12 Allowed Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 121.147 -0.221 . . . . 2.77 111.005 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.8 -178.43 4.17 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 121.93 1.754 . . . . 4.16 112.703 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.7 p -69.85 152.75 95.93 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.731 -0.668 . . . . 5.4 110.469 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.39 -56.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.475 0.385 0 C-N-CA 121.961 1.774 . . . . 7.87 112.67 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 90.07 5.71 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.9 -0.591 . . . . 11.77 110.443 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.757 1.638 . . . . 11.1 112.592 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.561 -1.416 . . . . 13.64 109.561 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -81.91 -61.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.474 0.35 0 C-N-CA 121.89 1.726 . . . . 12.69 112.74 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.41 -70.95 0.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 10.41 110.401 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.55 -73.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.889 -0.596 . . . . 8.23 110.48 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 5' ' ' VAL . 12.3 m -115.13 83.24 9.69 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 116.017 -0.538 . . . . 6.25 110.566 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -82.57 55.25 5.23 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.854 1.703 . . . . 5.11 112.557 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 8' ' ' THR . 5.0 t -163.14 174.03 12.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.891 -0.595 . . . . 4.67 110.451 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -156.61 -177.68 6.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.864 -0.607 . . . . 3.87 110.502 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -80.16 154.2 28.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.664 -0.698 . . . . 2.4 110.415 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.97 161.61 29.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.979 -0.555 . . . . 2.06 110.787 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.14 -46.92 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.568 -0.742 . . . . 2.43 110.338 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.06 86.04 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.689 -0.687 . . . . 3.12 110.319 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.847 HD13 ' HB3' ' A' ' 52' ' ' ASP . 24.2 mt -69.57 140.93 53.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.721 -0.672 . . . . 1.94 110.411 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.51 142.94 57.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.655 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -105.18 -35.89 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.693 -0.685 . . . . 2.95 110.212 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -82.59 129.46 34.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.677 . . . . 4.27 110.113 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 6.4 pttt -61.2 142.16 56.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 3.18 110.858 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.1 mt -97.12 140.06 21.86 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 115.546 -0.752 . . . . 1.44 109.847 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.83 155.61 30.76 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.346 1.364 . . . . 1.63 112.94 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 64' ' ' TYR . 40.5 mt -80.85 -40.66 24.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.249 -0.887 . . . . 1.43 110.974 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -58.74 -30.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 2.31 111.03 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -94.33 -10.16 33.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.042 -0.527 . . . . 4.07 111.335 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.3 mt -74.43 142.09 44.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.35 0.595 . . . . 1.58 110.994 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -115.46 -40.77 3.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.371 -0.831 . . . . 3.03 110.056 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 t -178.79 163.1 1.39 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.73 -0.668 . . . . 2.07 109.767 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.9 p90 -125.92 153.23 44.52 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.265 0.555 . . . . 1.74 111.062 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -127.56 107.36 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 3.6 110.138 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -66.14 148.84 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 2.51 110.744 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 40' ' ' ILE . 50.0 mm -100.48 136.71 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.378 -0.828 . . . . 1.7 109.936 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 t 174.8 62.54 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.589 -0.732 . . . . 2.31 109.862 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.9 t -59.99 -39.62 86.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 3.47 110.849 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.22 -60.39 0.67 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.595 -1.002 . . . . 2.68 110.595 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.15 32.68 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.166 0.507 . . . . 5.35 110.014 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.02 166.91 30.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.638 -0.71 . . . . 2.1 110.582 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -79.02 -32.52 1.82 Allowed 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 121.748 1.632 . . . . 2.27 112.443 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.37 135.77 8.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.789 -0.641 . . . . 3.28 110.711 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -68.57 172.15 6.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.817 -0.628 . . . . 3.31 110.059 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.52 -166.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.151 -0.477 . . . . 1.22 110.322 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 ' O ' HD13 ' A' ' 40' ' ' ILE . 45.6 t -141.22 158.57 22.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.237 0.541 . . . . 1.14 110.06 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.746 ' CG1' HD11 ' A' ' 29' ' ' ILE . 26.4 mm -128.3 146.53 33.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.536 -0.756 . . . . 1.73 109.566 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.685 ' HE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -126.58 148.44 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.375 0.607 . . . . 1.49 111.321 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' HD23 ' A' ' 23' ' ' LEU . 31.3 mttt -125.04 131.9 53.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.165 -0.925 . . . . 2.95 109.612 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.6 p -99.31 -163.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.81 -0.632 . . . . 1.89 110.045 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -93.18 21.27 6.07 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.499 -0.319 . . . . 3.19 111.311 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mt -117.56 18.96 14.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.925 -0.31 . . . . 2.68 111.027 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.42 32.79 22.02 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.982 0.42 . . . . 2.57 110.701 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -123.05 148.28 45.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 3.49 110.583 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.642 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.1 m-20 -113.55 146.38 39.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.76 -0.655 . . . . 2.28 110.368 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.642 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.3 mm -132.28 155.81 41.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 2.11 110.422 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.0 m -94.08 140.67 29.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.3 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -146.97 148.87 32.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 1.23 110.808 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.847 ' HB3' HD13 ' A' ' 13' ' ' LEU . 4.2 p-10 -95.95 152.78 39.19 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 115.806 -0.634 . . . . 2.22 110.204 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -81.02 5.4 6.25 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 121.774 1.649 . . . . 1.21 113.725 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.29 19.03 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.563 -0.455 . . . . 3.39 111.25 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.7 mmtm -100.67 151.03 22.13 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 121.124 0.488 . . . . 2.31 110.305 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -72.73 -34.01 66.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.829 -0.623 . . . . 3.69 111.036 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.481 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.5 p-90 -84.1 -28.32 27.59 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.405 -0.518 . . . . 1.33 110.413 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.691 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.8 t -73.05 -45.09 55.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.26 -0.644 . . . . 0.97 109.26 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -60.25 -46.8 88.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.717 -0.674 . . . . 2.67 109.782 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.4 -33.4 75.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.447 -0.797 . . . . 1.87 109.254 178.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -65.19 -54.83 23.63 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 115.406 -0.816 . . . . 1.05 110.312 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.438 ' CE ' HG12 ' A' ' 58' ' ' VAL . 24.4 ptp -61.36 -38.71 87.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 1.92 110.395 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.5 -37.28 84.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.282 0.563 . . . . 2.73 109.656 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.476 ' CD2' HD22 ' A' ' 20' ' ' LEU . 37.0 t80 -62.96 -54.75 33.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.319 -0.855 . . . . 1.59 109.628 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 79.1 mt -65.13 -40.71 94.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.527 -0.76 . . . . 1.67 109.837 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -60.21 -29.01 68.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.851 . . . . 1.95 110.056 179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -36.2 68.62 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.082 -0.508 . . . . 3.11 110.44 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -33.72 75.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.626 . . . . 4.18 109.988 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' CB ' ' CD ' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -75.78 179.12 1.54 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.555 -0.748 . . . . 2.77 110.059 179.707 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 39.7 Cg_endo -81.04 7.89 4.67 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 121.624 1.549 . . . . 4.16 113.636 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.43 91.27 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.978 -0.289 . . . . 5.4 110.711 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.87 -25.02 3.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 121.852 1.701 . . . . 7.87 112.717 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 7.3 mmtt 177.78 -55.52 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.93 -0.577 . . . . 11.77 110.434 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.9 Cg_endo . . . . . 0 C--N 1.347 0.492 0 C-N-CA 121.45 1.434 . . . . 11.1 112.54 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.513 -1.435 . . . . 13.64 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -82.07 -39.51 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 121.871 1.714 . . . . 12.69 112.563 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.3 178.33 4.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.814 -0.63 . . . . 10.41 110.331 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -97.26 -37.65 9.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 8.23 110.486 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.5 m -62.69 153.78 77.14 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.731 -0.668 . . . . 6.25 110.458 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -81.35 -63.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.404 0 C-N-CA 121.827 1.684 . . . . 5.11 112.724 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.5 m 56.85 97.95 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.993 -0.549 . . . . 4.67 110.674 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.3 m -154.97 147.07 23.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 3.87 110.461 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.02 -176.99 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 2.4 110.401 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.2 t -78.52 138.72 38.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.873 -0.603 . . . . 2.06 110.765 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -124.06 31.91 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 2.43 110.122 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -159.01 82.02 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.759 -0.655 . . . . 3.12 110.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 52' ' ' ASP . 34.8 mt -64.98 140.48 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.676 . . . . 1.94 110.479 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.79 150.85 46.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.732 -0.667 . . . . 1.66 110.561 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -106.9 -48.55 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 2.95 110.384 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 121.33 16.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.594 -0.73 . . . . 4.27 110.148 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -61.13 138.15 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.84 -0.618 . . . . 3.18 110.722 -179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.407 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.4 mt -89.94 139.98 27.59 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 115.527 -0.761 . . . . 1.44 109.892 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.39 158.03 36.81 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 121.335 1.357 . . . . 1.63 112.799 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.3 mt -80.45 -43.76 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.34 -0.846 . . . . 1.43 111.192 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.35 -29.49 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.858 -0.61 . . . . 2.31 111.131 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -92.63 -12.44 31.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.449 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.82 146.41 49.72 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.502 0.667 . . . . 1.58 111.205 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -120.02 -42.1 2.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.087 -0.961 . . . . 3.03 110.191 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -178.93 158.88 0.98 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.796 -0.638 . . . . 2.07 109.864 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 15.5 p90 -122.14 158.49 29.2 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.554 -0.458 . . . . 1.74 110.709 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mtt85 -136.42 109.22 7.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 3.6 110.449 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp85 -87.02 149.69 24.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.877 -0.601 . . . . 2.51 110.546 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 40' ' ' ILE . 49.7 mt -116.07 153.98 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.68 -0.691 . . . . 1.7 110.205 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.8 m -164.01 34.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.879 -0.6 . . . . 2.31 110.41 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -61.15 137.88 58.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 3.47 110.583 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.63 -35.03 91.44 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 2.68 110.76 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -72.4 -29.16 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.963 0.411 . . . . 5.35 110.65 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.0 148.7 69.55 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.127 -0.488 . . . . 2.1 110.511 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.9 -29.98 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 121.826 1.684 . . . . 2.27 112.55 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -147.05 144.31 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 3.28 110.39 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.8 OUTLIER -89.74 143.06 27.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.813 -0.63 . . . . 3.31 110.355 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -151.57 -177.35 6.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.785 -0.643 . . . . 1.22 110.386 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 43.4 t -126.58 158.2 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.376 0.608 . . . . 1.14 110.594 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.584 HD11 HD11 ' A' ' 29' ' ' ILE . 49.5 mt -130.72 130.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.247 -0.888 . . . . 1.73 109.481 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.639 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.2 m-85 -108.37 147.83 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.413 0.625 . . . . 1.49 111.098 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.658 ' O ' HD23 ' A' ' 23' ' ' LEU . 18.8 tttp -126.25 139.31 53.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.255 -0.884 . . . . 2.95 109.712 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.5 p -98.77 -166.34 1.35 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.316 -0.856 . . . . 1.89 109.865 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -98.23 30.17 3.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.965 0.412 . . . . 3.19 110.705 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mt -125.17 21.57 8.03 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.049 -0.523 . . . . 2.68 110.917 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.07 36.94 18.19 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.12 0.486 . . . . 2.57 110.603 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -128.6 151.16 49.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.892 -0.595 . . . . 3.49 110.45 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.679 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 m-20 -124.69 148.14 48.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.368 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.5 mm -135.76 155.51 36.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.734 -0.666 . . . . 2.11 110.206 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' N ' HG22 ' A' ' 49' ' ' ILE . 9.0 m -87.06 153.83 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.858 -0.61 . . . . 1.82 110.317 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.0 152.58 21.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.787 -0.642 . . . . 1.23 110.573 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.697 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -109.99 157.26 38.32 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 115.691 -0.686 . . . . 2.22 109.829 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.55 7.39 5.03 Favored 'Trans proline' 0 N--CA 1.476 0.479 0 C-N-CA 121.732 1.622 . . . . 1.21 113.6 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -105.02 10.89 33.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.716 -0.394 . . . . 3.39 111.413 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.9 mmtm -100.68 150.84 22.33 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.062 0.458 . . . . 2.31 110.291 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -71.04 -39.25 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.803 -0.635 . . . . 3.69 110.623 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.4 p-90 -74.41 -27.51 60.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 1.33 110.568 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.697 HG11 ' O ' ' A' ' 52' ' ' ASP . 96.8 t -76.05 -39.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 N-CA-C 109.189 -0.671 . . . . 0.97 109.189 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -64.1 -47.1 81.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.676 -0.693 . . . . 2.67 109.767 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.25 -35.02 78.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 1.87 109.353 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -65.78 -50.33 65.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.083 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -43.48 98.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.346 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.38 -38.79 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.988 -0.551 . . . . 2.73 109.814 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 20' ' ' LEU . 75.4 t80 -66.07 -48.84 69.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.341 -0.845 . . . . 1.59 109.755 179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 65' ' ' LEU . 72.8 mt -66.61 -40.57 88.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.644 -0.707 . . . . 1.67 110.179 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -35.52 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.341 -0.845 . . . . 1.95 110.211 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -83.47 -31.66 26.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 3.11 110.59 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -59.73 -30.2 68.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.889 -0.596 . . . . 4.18 110.841 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.4 m -56.2 109.41 1.65 Allowed Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 116.05 -0.523 . . . . 2.77 110.776 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -83.87 95.32 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 121.666 1.577 . . . . 4.16 112.621 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.2 p 48.1 90.57 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.53 0 CA-C-N 115.833 -0.622 . . . . 5.4 111.436 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.2 -51.49 0.05 OUTLIER 'Trans proline' 0 N--CA 1.475 0.387 0 C-N-CA 121.792 1.661 . . . . 7.87 112.588 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.81 83.1 14.72 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.894 -0.594 . . . . 11.77 110.428 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.22 -0.396 0 C-N-CA 121.899 1.733 . . . . 11.1 112.578 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.551 -1.42 . . . . 13.64 109.551 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.11 -28.47 1.97 Allowed 'Trans proline' 0 N--CA 1.475 0.383 0 C-N-CA 121.831 1.688 . . . . 12.69 112.57 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.36 89.91 0.5 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.853 -0.612 . . . . 10.41 110.385 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -134.33 32.88 3.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 8.23 110.419 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.5 p -129.82 86.49 54.95 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.798 -0.637 . . . . 6.25 110.166 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.7 135.72 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.391 0 C-N-CA 121.924 1.749 . . . . 5.11 112.534 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -68.1 80.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.824 -0.625 . . . . 4.67 110.414 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.586 HG22 ' SG ' ' A' ' 34' ' ' CYS . 6.3 m -105.92 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 3.87 110.339 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 29' ' ' ILE . 1.3 m -125.04 160.03 29.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 2.4 110.217 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.92 132.51 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.626 . . . . 2.06 110.639 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -118.98 -43.27 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.725 -0.67 . . . . 2.43 110.351 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -81.7 86.79 6.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.687 -0.688 . . . . 3.12 110.203 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD22 ' HB3' ' A' ' 52' ' ' ASP . 44.2 mt -60.95 140.95 57.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.645 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.02 134.61 36.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.783 -0.644 . . . . 1.66 110.608 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -100.59 -31.78 11.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.685 -0.689 . . . . 2.95 110.218 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -72.13 121.68 19.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.885 -0.598 . . . . 4.27 110.505 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -58.01 136.63 57.16 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.702 -0.681 . . . . 3.18 110.734 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 62.5 mt -104.82 139.86 20.51 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 115.735 -0.666 . . . . 1.44 109.871 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -78.85 157.1 27.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 121.434 1.423 . . . . 1.63 113.086 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.842 HD22 ' CD2' ' A' ' 64' ' ' TYR . 35.7 mt -80.78 -43.82 19.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.204 -0.907 . . . . 1.43 111.176 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -57.66 -29.42 64.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.799 -0.637 . . . . 2.31 111.138 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -90.33 -12.06 38.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 4.07 111.507 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.2 mt -74.39 142.8 45.0 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.315 0.579 . . . . 1.58 110.913 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -113.66 -35.49 5.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.372 -0.831 . . . . 3.03 110.24 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -176.72 -171.72 0.4 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.88 -0.6 . . . . 2.07 109.914 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.1 p90 -153.62 152.48 30.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.192 0.52 . . . . 1.74 110.943 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 40' ' ' ILE . 33.9 mtm-85 -128.48 119.44 24.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.553 -0.748 . . . . 3.6 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.567 ' HG3' HG22 ' A' ' 39' ' ' VAL . 31.7 ttt85 -107.0 148.27 28.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 2.51 110.38 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.61 HG21 ' SG ' ' A' ' 9' ' ' CYS . 42.7 mt -124.78 136.06 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.643 -0.708 . . . . 1.7 110.222 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.642 HG22 ' HG2' ' A' ' 37' ' ' LYS . 4.8 p -159.41 30.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.792 -0.64 . . . . 2.31 110.496 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -74.68 -178.79 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.047 -0.524 . . . . 3.47 110.515 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.72 31.16 8.7 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.799 -0.92 . . . . 2.68 110.799 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -122.16 -44.34 2.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.172 0.511 . . . . 5.35 110.448 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 8' ' ' THR . 1.2 m -61.51 156.34 53.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.686 . . . . 2.1 110.271 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.63 -26.79 2.97 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 121.871 1.714 . . . . 2.27 112.51 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.89 156.11 41.84 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.837 -0.62 . . . . 3.28 110.339 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.642 ' HG2' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -90.37 147.06 23.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.795 -0.639 . . . . 3.31 110.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -167.49 -177.87 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.877 -0.602 . . . . 1.22 110.431 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' SD ' ' A' ' 62' ' ' MET . 41.3 t -132.19 158.44 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.767 -0.651 . . . . 1.14 110.479 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 27' ' ' ARG . 4.3 mp -132.66 130.68 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.685 179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.665 ' CE2' HG13 ' A' ' 58' ' ' VAL . 36.6 m-85 -109.2 147.93 31.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.196 0.522 . . . . 1.49 110.817 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.23 130.75 46.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.536 -0.756 . . . . 2.95 110.01 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.0 p -89.75 -166.27 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.485 -0.779 . . . . 1.89 109.909 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -97.57 30.67 2.82 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.001 0.429 . . . . 3.19 110.769 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mt -126.45 21.39 7.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.07 -0.514 . . . . 2.68 110.869 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.97 37.66 18.02 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.148 0.499 . . . . 2.57 110.492 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -127.63 141.86 51.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.905 -0.589 . . . . 3.49 110.463 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.1 m-20 -116.24 145.8 42.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 2.28 110.391 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.8 mm -135.04 153.77 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.755 -0.657 . . . . 2.11 110.228 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 74.9 m -90.58 143.28 26.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.878 -0.601 . . . . 1.82 110.387 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -145.6 143.17 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.382 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 12.0 p-10 -89.81 150.13 43.31 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 115.95 -0.568 . . . . 2.22 110.118 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -80.54 4.24 7.04 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 121.633 1.555 . . . . 1.21 113.486 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -110.16 22.19 15.86 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.609 -0.437 . . . . 3.39 111.097 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 7.7 mmtm -100.57 158.61 15.8 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 121.064 0.459 . . . . 2.31 110.17 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -77.15 -41.19 42.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.817 -0.629 . . . . 3.69 110.61 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' LYS . 67.9 p-90 -80.1 -28.61 39.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 1.33 110.473 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 61.1 t -73.04 -42.85 59.27 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 N-CA-C 109.192 -0.669 . . . . 0.97 109.192 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -61.87 -47.92 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.617 -0.72 . . . . 2.67 109.436 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -34.64 78.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.354 -0.839 . . . . 1.87 109.244 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -63.65 -52.19 61.84 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.396 -0.82 . . . . 1.05 110.032 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.568 ' SD ' HG21 ' A' ' 39' ' ' VAL . 50.6 mtm -60.4 -45.3 94.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.774 -0.648 . . . . 1.92 110.394 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -65.99 -34.87 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 2.73 109.799 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.842 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.4 t80 -61.68 -49.06 78.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.352 -0.84 . . . . 1.59 110.056 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD13 ' CD1' ' A' ' 26' ' ' TYR . 58.5 mt -68.84 -38.89 80.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.482 0.658 . . . . 1.67 110.453 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.88 -25.05 62.62 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.281 -0.872 . . . . 1.95 110.929 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -90.29 -25.98 20.25 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.944 0.35 . . . . 3.11 111.944 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -22.29 34.41 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.683 -0.407 . . . . 4.18 111.548 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -57.54 133.96 82.13 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.542 -0.299 . . . . 2.77 110.628 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.62 -41.76 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 121.692 1.595 . . . . 4.16 112.715 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.4 p 58.52 160.72 0.09 OUTLIER Pre-proline 0 N--CA 1.468 0.473 0 CA-C-N 115.445 -0.798 . . . . 5.4 110.614 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.9 132.11 6.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 121.8 1.666 . . . . 7.87 112.627 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 3.3 tttt -79.73 -52.34 1.09 Allowed Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 115.758 -0.655 . . . . 11.77 110.608 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 73' ' ' LYS . 40.4 Cg_endo . . . . . 0 C--N 1.346 0.439 0 C-N-CA 121.622 1.548 . . . . 11.1 112.569 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.511 -1.436 . . . . 13.64 109.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -81.88 112.93 2.42 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.844 1.696 . . . . 12.69 112.581 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.27 86.14 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 10.41 110.381 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 p -164.88 32.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.839 -0.619 . . . . 8.23 110.471 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 33' ' ' LYS . 12.1 t -64.11 -45.16 79.42 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 115.796 -0.638 . . . . 6.25 111.449 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.6 Cg_endo -80.03 155.87 23.12 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 121.281 1.321 . . . . 5.11 112.33 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 8' ' ' THR . 2.8 t -140.02 -47.16 0.44 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.109 -0.496 . . . . 4.67 110.992 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.474 ' N ' HG23 ' A' ' 7' ' ' THR . 11.9 m -164.04 115.87 1.35 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.154 0.502 . . . . 3.87 111.055 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -155.76 161.33 40.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.715 -0.675 . . . . 2.4 110.168 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -62.73 140.43 58.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.768 -0.651 . . . . 2.06 110.685 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -127.61 172.74 10.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 2.43 109.562 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 41.72 76.73 0.07 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.29 0.567 . . . . 3.12 111.403 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD13 ' CG ' ' A' ' 52' ' ' ASP . 10.1 mt -56.14 139.67 46.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.497 -0.774 . . . . 1.94 111.143 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -60.93 139.26 58.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.455 -0.793 . . . . 1.66 110.597 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -100.9 -35.03 9.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.778 -0.647 . . . . 2.95 110.117 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.8 mtm180 -74.26 170.61 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.711 -0.677 . . . . 4.27 110.007 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -100.1 144.61 28.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.242 0.544 . . . . 3.18 110.603 -179.837 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.573 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.7 mt -107.2 140.01 21.03 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.667 -0.697 . . . . 1.44 109.783 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.78 157.59 31.49 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.355 1.37 . . . . 1.63 113.053 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD22 ' CD2' ' A' ' 64' ' ' TYR . 26.5 mt -80.53 -40.13 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.34 -0.845 . . . . 1.43 111.128 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -57.63 -30.68 65.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.791 -0.641 . . . . 2.31 111.171 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt85 -90.4 -12.17 38.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.94 -0.573 . . . . 4.07 111.489 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.59 146.6 44.56 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.461 0.648 . . . . 1.58 111.161 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.26 -41.23 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.148 -0.933 . . . . 3.03 110.074 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.9 t -171.96 -174.21 1.26 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.698 -0.683 . . . . 2.07 109.894 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -153.73 153.4 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.242 0.544 . . . . 1.74 110.925 179.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.6 mtm180 -136.61 121.13 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.591 -0.731 . . . . 3.6 110.352 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -97.11 149.12 22.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.899 -0.591 . . . . 2.51 110.447 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 40' ' ' ILE . 41.7 mt -126.53 136.83 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.717 -0.674 . . . . 1.7 110.47 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 30' ' ' THR . 27.4 m -164.15 42.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.706 -0.679 . . . . 2.31 110.181 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.5 t -60.24 -72.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.723 -0.671 . . . . 3.47 110.75 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.37 -37.46 1.22 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.778 -0.929 . . . . 2.68 110.778 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.676 ' O ' HG12 ' A' ' 5' ' ' VAL . 33.2 mttp -69.86 -31.64 69.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.085 0.469 . . . . 5.35 110.411 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 m -59.67 167.37 2.57 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.859 -0.61 . . . . 2.1 110.581 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -79.02 -29.73 3.12 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 121.839 1.693 . . . . 2.27 112.74 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -160.11 135.48 8.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.961 -0.563 . . . . 3.28 110.552 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 144.45 30.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.797 -0.638 . . . . 3.31 110.271 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -161.09 -173.96 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.893 -0.594 . . . . 1.22 110.34 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 40' ' ' ILE . 58.0 t -119.49 157.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.412 0.625 . . . . 1.14 110.264 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.696 HD11 HD11 ' A' ' 29' ' ' ILE . 41.4 mt -128.1 130.13 69.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.158 -0.928 . . . . 1.73 109.515 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.662 ' CE2' HG13 ' A' ' 58' ' ' VAL . 35.0 m-85 -108.98 149.0 29.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.336 0.589 . . . . 1.49 110.863 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.0 mtpt -123.94 130.98 53.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.361 -0.836 . . . . 2.95 109.758 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -97.0 -168.24 1.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.813 -0.631 . . . . 1.89 109.993 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -98.48 29.6 3.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 3.19 110.597 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.66 20.07 11.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.073 -0.512 . . . . 2.68 110.927 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.37 38.36 19.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.108 0.48 . . . . 2.57 110.608 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 ttmt -136.14 158.42 44.46 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.028 -0.533 . . . . 3.49 110.63 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.0 157.83 33.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.674 -0.694 . . . . 2.28 110.374 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.7 mt -141.94 159.51 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 2.11 110.356 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.505 ' N ' HG22 ' A' ' 49' ' ' ILE . 60.3 m -96.14 138.5 33.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.742 -0.663 . . . . 1.82 110.419 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -145.41 154.24 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.806 -0.633 . . . . 1.23 110.553 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.68 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -112.1 152.63 44.5 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.818 -0.628 . . . . 2.22 109.676 179.6 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -78.28 3.51 7.06 Favored 'Trans proline' 0 N--CA 1.476 0.472 0 C-N-CA 121.525 1.483 . . . . 1.21 113.667 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -98.75 9.41 43.43 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.649 -0.42 . . . . 3.39 111.307 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -100.34 158.17 16.08 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.093 0.473 . . . . 2.31 110.399 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -75.89 -47.02 27.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.804 -0.634 . . . . 3.69 110.726 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.573 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 66.5 p-90 -69.2 -27.15 65.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.904 -0.589 . . . . 1.33 110.478 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.68 HG11 ' O ' ' A' ' 52' ' ' ASP . 62.9 t -76.95 -37.2 26.54 Favored 'Isoleucine or valine' 0 C--O 1.23 0.071 0 N-CA-C 109.097 -0.705 . . . . 0.97 109.097 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.06 -47.56 76.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.62 -0.718 . . . . 2.67 109.579 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.382 -0.826 . . . . 1.87 109.327 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -65.32 -50.05 67.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.421 -0.809 . . . . 1.05 109.966 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.7 ttp -64.52 -44.59 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.665 -0.698 . . . . 1.92 109.912 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -35.39 80.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.719 -0.673 . . . . 2.73 109.561 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.828 ' CD2' HD22 ' A' ' 20' ' ' LEU . 24.1 t80 -61.2 -55.36 33.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.332 -0.849 . . . . 1.59 109.809 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 26' ' ' TYR . 81.5 mt -66.31 -42.18 88.63 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.779 -0.646 . . . . 1.67 109.673 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.01 -23.56 65.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.556 -0.747 . . . . 1.95 110.193 178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -78.12 -5.28 51.1 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.153 -0.476 . . . . 3.11 112.171 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 20.34 3.55 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 120.125 -0.63 . . . . 4.18 111.811 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' N ' ' CD ' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -53.86 -49.13 91.12 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.511 0.189 . . . . 2.77 111.511 179.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 69' ' ' SER . 38.4 Cg_endo -78.0 87.54 1.52 Allowed 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 121.343 1.362 . . . . 4.16 112.484 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.15 167.36 13.2 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.487 -0.779 . . . . 5.4 110.093 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.83 158.93 24.56 Favored 'Trans proline' 0 N--CA 1.475 0.403 0 C-N-CA 121.552 1.501 . . . . 7.87 112.512 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 140.81 88.93 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.816 -0.629 . . . . 11.77 110.475 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--N 1.346 0.446 0 C-N-CA 121.751 1.634 . . . . 11.1 112.519 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.507 -1.437 . . . . 13.64 109.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.06 146.06 14.2 Favored 'Trans proline' 0 N--CA 1.474 0.354 0 C-N-CA 121.886 1.724 . . . . 12.69 112.466 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.23 110.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.814 -0.63 . . . . 10.41 110.408 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 p 56.0 -170.49 0.08 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.833 -0.621 . . . . 8.23 110.84 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.3 p -126.66 72.19 74.01 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-N 115.931 -0.577 . . . . 6.25 110.281 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.6 112.07 2.38 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 121.882 1.721 . . . . 5.11 112.577 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -100.18 33.39 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.605 . . . . 4.67 110.441 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.443 HG23 ' SG ' ' A' ' 9' ' ' CYS . 2.3 t -109.53 -30.35 7.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.81 -0.632 . . . . 3.87 110.706 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 8' ' ' THR . 26.5 m -106.58 -172.08 2.02 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.081 -0.509 . . . . 2.4 109.998 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 m -117.28 -66.84 1.04 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.05 -0.523 . . . . 2.06 110.373 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 60.34 31.11 20.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.847 -0.615 . . . . 2.43 110.658 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -178.14 83.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.003 -0.544 . . . . 3.12 110.512 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 52' ' ' ASP . 35.2 mt -65.36 161.1 20.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.849 -0.614 . . . . 1.94 110.351 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.21 142.35 31.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.853 -0.612 . . . . 1.66 110.564 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -99.96 -35.38 9.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.875 -0.602 . . . . 2.95 110.277 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 84.3 mtt-85 -78.31 113.42 16.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.663 -0.698 . . . . 4.27 110.078 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -59.77 137.48 58.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 3.18 110.739 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 59.0 mt -89.74 139.86 27.87 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.515 -0.766 . . . . 1.44 109.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -76.36 158.24 36.9 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.417 1.411 . . . . 1.63 112.958 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.764 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.8 mt -80.35 -43.27 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.337 -0.847 . . . . 1.43 111.178 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -59.09 -28.86 66.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.923 -0.58 . . . . 2.31 111.105 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -94.94 -9.15 34.96 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.04 -0.527 . . . . 4.07 111.589 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 42' ' ' LYS . 4.9 mt -76.91 146.81 37.36 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.339 0.59 . . . . 1.58 111.134 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.54 -40.73 2.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.245 -0.889 . . . . 3.03 110.285 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 t -178.7 160.52 1.19 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.843 -0.617 . . . . 2.07 110.063 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 10.2 p90 -124.34 159.68 29.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.142 0.496 . . . . 1.74 110.629 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -135.06 103.31 5.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.799 -0.637 . . . . 3.6 110.538 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -81.4 144.96 31.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.636 . . . . 2.51 110.258 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 HD11 ' A' ' 40' ' ' ILE . 39.3 mt -118.84 138.03 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.633 -0.712 . . . . 1.7 110.511 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.719 HG23 ' CD ' ' A' ' 37' ' ' LYS . 21.0 m -163.77 31.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.724 -0.671 . . . . 2.31 110.398 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.0 t -84.5 -172.53 4.22 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.898 -0.592 . . . . 3.47 110.574 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.84 32.71 7.2 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.8 -0.92 . . . . 2.68 110.8 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.16 -32.81 7.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.05 0.452 . . . . 5.35 110.404 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.0 m -100.66 157.12 34.31 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.901 -0.591 . . . . 2.1 110.434 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.59 -33.12 0.72 Allowed 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 121.794 1.663 . . . . 2.27 112.635 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -127.5 139.61 52.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.789 -0.642 . . . . 3.28 110.524 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.719 ' CD ' HG23 ' A' ' 30' ' ' THR . 23.8 mtmm -72.54 153.88 41.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.351 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.03 -178.29 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.89 -0.595 . . . . 1.22 110.573 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 40' ' ' ILE . 37.5 t -135.39 159.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.623 -0.717 . . . . 1.14 110.153 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.51 ' N ' HG12 ' A' ' 39' ' ' VAL . 40.3 mt -135.48 132.15 51.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.624 -0.716 . . . . 1.73 109.929 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.708 ' HE2' HG13 ' A' ' 58' ' ' VAL . 56.9 m-85 -111.11 147.59 34.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.308 0.575 . . . . 1.49 111.048 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.3 tttp -125.97 137.43 53.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.712 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.6 p -99.98 -166.65 1.36 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.375 -0.83 . . . . 1.89 109.98 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -97.92 30.36 3.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.92 0.39 . . . . 3.19 110.662 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.6 mt -125.03 20.67 8.24 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.127 -0.488 . . . . 2.68 111.1 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.82 43.85 11.56 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.297 0.57 . . . . 2.57 110.594 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -135.39 154.4 51.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 3.49 110.593 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.7 m-20 -128.29 144.0 51.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.653 -0.703 . . . . 2.28 110.305 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.9 mm -134.75 148.49 29.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 2.11 110.416 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.21 151.66 24.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.996 -0.547 . . . . 1.82 110.223 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -153.99 147.13 24.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.623 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.1 t0 -91.17 144.13 29.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.726 -0.67 . . . . 2.22 109.884 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -79.46 1.13 9.45 Favored 'Trans proline' 0 N--CA 1.477 0.527 0 C-N-CA 121.545 1.497 . . . . 1.21 113.537 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -110.36 22.35 15.61 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.592 -0.443 . . . . 3.39 110.98 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 179.38 4.45 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.087 0.47 . . . . 2.31 110.487 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -90.09 -57.79 2.73 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.77 -0.65 . . . . 3.69 110.91 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.414 ' CE2' HG23 ' A' ' 58' ' ' VAL . 67.8 p-90 -64.36 -29.86 70.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.089 -0.505 . . . . 1.33 110.036 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.708 HG13 ' HE2' ' A' ' 41' ' ' PHE . 54.8 t -70.84 -38.87 74.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 108.853 -0.795 . . . . 0.97 108.853 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -65.32 -47.09 77.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.453 -0.794 . . . . 2.67 109.214 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.82 -35.74 81.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.358 -0.837 . . . . 1.87 109.164 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.1 m -64.35 -53.84 42.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.356 -0.838 . . . . 1.05 109.926 179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 33.8 ttm -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.225 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -65.93 -37.02 84.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.315 0.579 . . . . 2.73 109.878 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.764 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.4 t80 -63.42 -50.91 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.349 -0.841 . . . . 1.59 109.855 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 65' ' ' LEU . 65.8 mt -69.85 -39.88 76.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.421 0.629 . . . . 1.67 109.796 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.76 -31.23 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.14 -0.937 . . . . 1.95 110.258 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -59.77 -30.32 68.79 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.038 -0.528 . . . . 3.11 110.611 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.23 -36.58 78.04 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.192 0.52 . . . . 4.18 110.398 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.405 ' CB ' ' CD ' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -90.15 176.06 3.31 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 115.595 -0.73 . . . . 2.77 110.059 179.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 69' ' ' SER . 39.8 Cg_endo -81.17 112.52 2.57 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 121.693 1.596 . . . . 4.16 112.427 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.1 p -60.6 142.3 91.48 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.783 -0.644 . . . . 5.4 110.571 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -83.51 -166.0 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 121.791 1.66 . . . . 7.87 112.402 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.9 mttt 60.24 163.7 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.858 -0.61 . . . . 11.77 110.628 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.221 -0.372 0 C-N-CA 121.873 1.715 . . . . 11.1 112.54 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.499 -1.44 . . . . 13.64 109.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 42.0 Cg_endo -85.24 13.26 2.82 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.957 1.771 . . . . 12.69 113.516 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 2' ' ' PRO . . . 69.87 -66.9 0.25 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.992 0.425 . . . . 10.41 110.699 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m 61.14 62.17 1.45 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.415 0.626 . . . . 8.23 110.351 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.2 m -59.24 153.36 47.69 Favored Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 115.659 -0.7 . . . . 6.25 110.665 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -81.52 -72.08 0.01 OUTLIER 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 121.924 1.749 . . . . 5.11 113.075 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -95.29 94.11 7.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.062 0.458 . . . . 4.67 110.586 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.9 m -164.59 -63.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.821 -0.627 . . . . 3.87 110.41 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.8 m -79.81 -172.35 3.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 2.4 110.189 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -116.21 113.6 23.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.98 -0.555 . . . . 2.06 110.399 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -106.08 -31.73 8.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.804 -0.634 . . . . 2.43 110.438 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.56 86.32 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.959 -0.564 . . . . 3.12 110.399 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD13 ' HB3' ' A' ' 52' ' ' ASP . 33.7 mt -63.21 140.27 58.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 1.94 110.34 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.6 135.71 51.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.775 -0.648 . . . . 1.66 110.431 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -102.48 -34.11 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.747 -0.66 . . . . 2.95 110.309 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -77.08 128.25 34.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.826 -0.625 . . . . 4.27 110.288 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 40.2 mtmt -61.44 126.0 25.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.806 -0.634 . . . . 3.18 110.504 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 58.6 mt -89.9 139.66 27.6 Favored Pre-proline 0 CA--C 1.535 0.4 0 CA-C-N 115.707 -0.679 . . . . 1.44 110.035 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.1 Cg_endo -79.08 157.39 26.7 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.535 1.49 . . . . 1.63 112.94 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.759 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.0 mt -80.74 -42.52 21.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.362 -0.835 . . . . 1.43 110.999 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -57.95 -30.05 65.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.945 -0.571 . . . . 2.31 110.996 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -90.03 -12.76 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.309 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -70.6 145.65 50.58 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.358 0.599 . . . . 1.58 110.842 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -120.65 -41.42 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.243 -0.889 . . . . 3.03 110.252 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 t -169.21 174.16 6.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.842 -0.617 . . . . 2.07 109.942 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.709 ' CD1' HD13 ' A' ' 65' ' ' LEU . 2.7 p90 -146.04 156.71 43.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.102 0.477 . . . . 1.74 110.754 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -133.05 122.8 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.677 -0.692 . . . . 3.6 110.542 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HG3' HG22 ' A' ' 39' ' ' VAL . 30.4 ttp180 -100.78 146.37 27.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.85 -0.614 . . . . 2.51 110.326 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 40' ' ' ILE . 53.8 mt -132.97 135.32 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.652 -0.704 . . . . 1.7 110.337 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 30' ' ' THR . 6.6 m -163.99 31.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.31 110.451 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.28 -171.22 3.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 3.47 110.498 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.16 35.68 4.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.722 -0.951 . . . . 2.68 110.722 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -115.08 -56.22 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.185 0.517 . . . . 5.35 110.44 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 m -69.6 150.74 96.76 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 2.1 110.323 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.5 -28.28 1.87 Allowed 'Trans proline' 0 N--CA 1.475 0.407 0 C-N-CA 121.847 1.698 . . . . 2.27 112.566 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -132.44 107.56 8.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.69 -0.686 . . . . 3.28 110.387 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -61.4 141.42 57.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.854 -0.612 . . . . 3.31 110.468 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.53 -177.55 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.859 -0.609 . . . . 1.22 110.519 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 ' HG3' ' A' ' 28' ' ' ARG . 60.9 t -120.0 158.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.691 -0.686 . . . . 1.14 110.314 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 29' ' ' ILE . 6.6 mt -127.38 130.37 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.238 -0.892 . . . . 1.73 109.344 179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.4 m-85 -107.58 148.16 29.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.304 0.573 . . . . 1.49 111.019 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.525 ' O ' HD23 ' A' ' 23' ' ' LEU . 72.8 mttt -124.96 130.24 51.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.35 -0.841 . . . . 2.95 109.558 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.6 p -94.11 -167.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 1.89 110.017 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -98.37 30.12 3.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.236 -0.438 . . . . 3.19 110.679 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -123.54 20.75 9.48 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.062 -0.517 . . . . 2.68 110.944 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.43 39.31 18.61 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.222 0.534 . . . . 2.57 110.572 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -138.01 144.4 41.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.851 -0.613 . . . . 3.49 110.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -111.79 156.14 22.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.783 -0.644 . . . . 2.28 110.414 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 50' ' ' CYS . 53.5 mt -140.63 159.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.872 -0.604 . . . . 2.11 110.303 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 68.6 m -92.45 146.64 23.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 1.82 110.479 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.92 133.29 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.694 . . . . 1.23 110.552 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.726 ' O ' HG11 ' A' ' 58' ' ' VAL . 3.3 p30 -92.6 157.59 39.73 Favored Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.918 -0.583 . . . . 2.22 110.206 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.02 11.69 3.05 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 121.839 1.693 . . . . 1.21 113.964 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -106.1 12.68 30.02 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.58 -0.448 . . . . 3.39 111.502 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 0.4 OUTLIER -100.65 156.02 17.55 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.02 0.438 . . . . 2.31 110.37 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -34.39 58.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.896 -0.593 . . . . 3.69 111.053 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.577 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 70.7 p-90 -84.92 -26.42 27.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.449 -0.501 . . . . 1.33 110.421 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.9 t -73.11 -45.47 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 N-CA-C 109.098 -0.704 . . . . 0.97 109.098 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -48.31 82.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.572 -0.74 . . . . 2.67 109.682 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -32.56 74.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.442 -0.799 . . . . 1.87 109.267 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 m -65.57 -53.95 34.79 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 115.478 -0.783 . . . . 1.05 110.449 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 16.8 ptm -62.3 -37.88 87.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.125 -0.488 . . . . 1.92 110.672 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -72.46 -35.75 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.391 0.615 . . . . 2.73 109.841 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.759 ' CD2' HD22 ' A' ' 20' ' ' LEU . 57.7 t80 -66.22 -47.45 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.297 -0.865 . . . . 1.59 109.735 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.709 HD13 ' CD1' ' A' ' 26' ' ' TYR . 65.2 mt -64.92 -38.5 91.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.537 0.684 . . . . 1.67 109.995 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.95 -46.84 88.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.913 -1.039 . . . . 1.95 110.938 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.32 -29.62 30.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.65 -0.42 . . . . 3.11 111.166 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -61.95 -24.91 67.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 4.18 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.8 p -47.74 104.93 0.44 Allowed Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.455 -0.339 . . . . 2.77 111.454 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.13 -165.63 0.32 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 121.785 1.656 . . . . 4.16 112.804 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.8 p 52.8 74.31 0.8 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.729 -0.668 . . . . 5.4 111.129 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.42 56.02 5.22 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.004 1.803 . . . . 7.87 112.466 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -113.46 89.76 15.89 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 115.852 -0.613 . . . . 11.77 110.555 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 C--O 1.22 -0.403 0 C-N-CA 121.813 1.676 . . . . 11.1 112.584 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.578 -1.409 . . . . 13.64 109.578 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.13 -55.23 0.03 OUTLIER 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 121.892 1.728 . . . . 12.69 112.597 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -123.35 84.08 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.907 -0.588 . . . . 10.41 110.402 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -84.79 89.78 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.876 -0.602 . . . . 8.23 110.411 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 t -94.33 139.54 22.47 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 115.899 -0.591 . . . . 6.25 110.238 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.96 151.7 14.28 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.677 1.585 . . . . 5.11 112.626 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 t -109.33 131.18 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 4.67 110.426 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.08 171.94 7.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.82 -0.627 . . . . 3.87 110.409 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 74.8 m -111.93 -71.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.861 -0.608 . . . . 2.4 110.464 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.53 -70.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.817 -0.629 . . . . 2.06 110.33 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 59.94 177.96 0.09 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.901 -0.59 . . . . 2.43 110.305 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.55 61.22 1.9 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.516 0.674 . . . . 3.12 111.749 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.805 HD13 ' HB3' ' A' ' 52' ' ' ASP . 9.3 mt -59.34 140.32 56.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.467 -0.788 . . . . 1.94 110.768 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 139.42 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.582 -0.736 . . . . 1.66 110.604 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -103.12 -33.45 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.731 -0.668 . . . . 2.95 110.282 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.64 152.85 31.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.276 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 30.8 mttp -81.72 127.59 33.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.815 -0.63 . . . . 3.18 110.447 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.637 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.87 139.65 27.64 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.919 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -77.8 157.47 31.42 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 121.41 1.406 . . . . 1.63 113.036 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.816 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.1 mt -80.63 -37.51 30.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.332 -0.849 . . . . 1.43 110.927 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -59.25 -31.53 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 2.31 110.863 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -88.97 -13.25 39.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.831 -0.622 . . . . 4.07 111.298 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.84 144.45 45.48 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.363 0.601 . . . . 1.58 111.039 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -120.28 -41.74 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.116 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.6 t -168.35 -176.15 2.78 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.818 -0.628 . . . . 2.07 109.781 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -154.52 164.62 38.41 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.435 -0.506 . . . . 1.74 110.853 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -148.25 122.3 9.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 3.6 110.469 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.673 ' HG3' HG22 ' A' ' 39' ' ' VAL . 11.4 ttm180 -92.63 143.57 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 2.51 110.338 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 40' ' ' ILE . 53.3 mt -116.06 136.1 54.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.4 -0.818 . . . . 1.7 110.248 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 30' ' ' THR . 17.9 m -149.46 31.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.805 -0.634 . . . . 2.31 110.447 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.49 132.63 46.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.928 -0.578 . . . . 3.47 110.467 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.2 -27.69 65.58 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.022 -0.831 . . . . 2.68 111.022 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -69.76 -32.49 71.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.026 0.441 . . . . 5.35 110.643 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.21 150.03 97.39 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 115.961 -0.563 . . . . 2.1 110.352 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -84.84 -28.01 1.08 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 121.864 1.709 . . . . 2.27 112.596 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -133.73 129.1 36.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 3.28 110.668 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 106.46 17.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.859 -0.609 . . . . 3.31 109.787 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.56 -176.76 3.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.322 0.582 . . . . 1.22 111.043 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 28' ' ' ARG . 89.4 t -119.43 159.0 20.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.303 -0.862 . . . . 1.14 109.86 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.033 HD11 HD11 ' A' ' 29' ' ' ILE . 22.9 mt -126.7 130.33 71.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.441 -0.799 . . . . 1.73 109.368 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.627 ' CE2' HG13 ' A' ' 58' ' ' VAL . 38.9 m-85 -106.56 147.2 29.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.328 0.585 . . . . 1.49 111.055 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.612 ' O ' HD23 ' A' ' 23' ' ' LEU . 12.5 mmtp -115.94 129.05 56.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.127 -0.942 . . . . 2.95 109.212 179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 39.3 p -98.54 -166.35 1.35 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.175 -0.466 . . . . 1.89 110.084 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -96.03 28.29 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.887 0.375 . . . . 3.19 111.016 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.72 18.54 7.99 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.291 -0.413 . . . . 2.68 111.058 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.69 35.37 22.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.147 0.499 . . . . 2.57 110.655 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -126.28 147.64 49.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.875 -0.602 . . . . 3.49 110.671 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -113.44 139.52 48.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.759 -0.655 . . . . 2.28 110.278 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.4 mp -126.42 159.46 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.864 -0.607 . . . . 2.11 110.238 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.506 ' N ' HG22 ' A' ' 49' ' ' ILE . 87.3 m -92.73 143.89 25.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.268 -0.878 . . . . 1.82 110.114 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -150.24 137.55 19.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.783 -0.644 . . . . 1.23 110.7 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.805 ' HB3' HD13 ' A' ' 13' ' ' LEU . 16.0 p30 -89.89 149.15 41.3 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.861 -0.609 . . . . 2.22 110.096 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.96 9.63 3.86 Favored 'Trans proline' 0 N--CA 1.477 0.537 0 C-N-CA 121.807 1.671 . . . . 1.21 113.897 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.18 17.52 20.89 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.554 -0.458 . . . . 3.39 111.369 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -100.8 174.2 6.15 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.121 0.486 . . . . 2.31 110.462 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -88.78 -47.13 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 3.69 110.592 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.637 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 65.5 p-90 -72.06 -31.01 65.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 1.33 110.056 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.721 HG11 ' O ' ' A' ' 52' ' ' ASP . 60.0 t -71.12 -40.91 75.8 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 N-CA-C 109.307 -0.627 . . . . 0.97 109.307 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.677 -0.692 . . . . 2.67 109.528 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.81 -33.76 68.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.474 -0.785 . . . . 1.87 109.129 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -68.01 -53.03 28.93 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.417 -0.811 . . . . 1.05 110.446 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -34.9 79.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 1.92 110.199 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -35.61 66.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.374 0.607 . . . . 2.73 109.478 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.816 ' CD2' HD22 ' A' ' 20' ' ' LEU . 42.3 t80 -63.27 -49.97 71.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.169 -0.923 . . . . 1.59 109.906 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.626 HD13 ' CD1' ' A' ' 26' ' ' TYR . 44.9 mt -65.5 -42.94 91.55 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.873 -0.603 . . . . 1.67 110.265 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.1 -32.17 72.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.404 -0.817 . . . . 1.95 110.456 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.84 -38.85 17.68 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.94 -0.573 . . . . 3.11 110.727 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -59.37 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.712 -0.677 . . . . 4.18 110.699 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.3 p -57.33 109.75 1.97 Allowed Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.642 -0.708 . . . . 2.77 110.746 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -85.15 11.39 3.39 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.719 1.613 . . . . 4.16 113.322 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -143.13 85.16 9.89 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 120.803 -0.359 . . . . 5.4 110.446 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.27 144.84 13.29 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 121.845 1.697 . . . . 7.87 112.61 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -63.98 153.49 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.883 -0.598 . . . . 11.77 110.382 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.419 0 C-N-CA 121.83 1.687 . . . . 11.1 112.58 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.559 -1.416 . . . . 13.64 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.12 -27.56 2.35 Favored 'Trans proline' 0 N--CA 1.475 0.397 0 C-N-CA 121.856 1.704 . . . . 12.69 112.645 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.513 ' HB1' HG22 ' A' ' 5' ' ' VAL . . . 65.29 -77.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.819 -0.628 . . . . 10.41 110.601 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.36 31.35 20.36 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.219 -0.446 . . . . 8.23 110.612 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG22 ' HB1' ' A' ' 3' ' ' ALA . 10.3 m -112.18 90.76 14.46 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.936 -0.574 . . . . 6.25 110.495 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -80.76 76.74 4.36 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.71 1.606 . . . . 5.11 112.533 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 7' ' ' THR . 19.7 m -103.78 31.92 4.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.772 -0.649 . . . . 4.67 110.402 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.431 HG22 ' H ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER 60.97 176.17 0.1 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.949 -0.569 . . . . 3.87 110.419 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 11' ' ' PHE . 87.3 m -80.1 -20.23 45.57 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.853 -0.612 . . . . 2.4 111.19 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.455 ' SG ' HD12 ' A' ' 40' ' ' ILE . 1.3 m 63.43 76.76 0.35 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.141 0.496 . . . . 2.06 110.087 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 9' ' ' CYS . 64.6 m-85 -81.85 -34.7 29.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 2.43 110.357 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -85.09 82.79 8.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.667 -0.697 . . . . 3.12 110.465 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD13 ' CG ' ' A' ' 52' ' ' ASP . 14.1 mt -61.74 140.39 58.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.887 -0.597 . . . . 1.94 110.313 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -61.84 140.2 58.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.862 -0.608 . . . . 1.66 110.514 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -101.79 -38.12 7.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.888 -0.596 . . . . 2.95 110.194 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.75 132.33 36.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.682 -0.69 . . . . 4.27 109.894 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 23.5 mttt -61.81 135.05 57.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.868 -0.606 . . . . 3.18 110.557 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.525 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.5 mt -89.74 139.73 27.85 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.86 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.26 156.12 37.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.307 1.338 . . . . 1.63 112.854 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD22 ' CG ' ' A' ' 64' ' ' TYR . 53.1 mt -80.67 -44.32 18.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.282 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -58.31 -28.97 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.949 -0.569 . . . . 2.31 111.18 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -90.11 -12.91 36.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.052 -0.522 . . . . 4.07 111.521 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.1 mt -74.94 147.8 40.59 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.354 0.597 . . . . 1.58 111.1 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -120.95 -41.35 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.175 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.7 t -179.43 159.43 0.91 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.808 -0.633 . . . . 2.07 109.949 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.4 p90 -120.7 164.45 16.53 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.11 0.481 . . . . 1.74 110.778 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -148.75 108.68 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.75 -0.659 . . . . 3.6 110.366 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -79.79 148.81 31.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.457 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -119.85 139.7 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.656 -0.702 . . . . 1.7 110.163 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.81 32.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.846 -0.615 . . . . 2.31 110.46 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 t -63.73 -172.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.879 -0.6 . . . . 3.47 110.359 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.16 31.64 7.95 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.811 -0.916 . . . . 2.68 110.811 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -120.45 -43.28 2.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.108 0.48 . . . . 5.35 110.55 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.07 150.77 96.18 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 115.74 -0.664 . . . . 2.1 110.377 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.36 -27.9 2.09 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.855 1.703 . . . . 2.27 112.581 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -135.33 146.83 48.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.791 -0.641 . . . . 3.28 110.41 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -83.54 153.15 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.786 -0.643 . . . . 3.31 110.455 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -165.02 -177.73 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.863 -0.608 . . . . 1.22 110.427 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' O ' HD13 ' A' ' 40' ' ' ILE . 44.6 t -123.56 157.25 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.501 0.667 . . . . 1.14 110.382 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.595 HD13 ' O ' ' A' ' 39' ' ' VAL . 18.9 mm -127.96 131.08 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.093 -0.958 . . . . 1.73 109.281 179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -110.44 147.62 33.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.375 0.607 . . . . 1.49 110.96 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.468 ' O ' HD23 ' A' ' 23' ' ' LEU . 20.7 mtmm -123.53 132.01 53.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.285 -0.871 . . . . 2.95 109.902 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.3 p -90.15 -167.09 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.632 -0.713 . . . . 1.89 109.969 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.15 29.94 2.96 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 121.014 0.435 . . . . 3.19 110.641 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mt -127.99 20.46 6.43 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.094 -0.503 . . . . 2.68 110.854 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.76 50.02 5.77 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.317 0.579 . . . . 2.57 110.533 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -137.66 150.63 47.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.766 -0.652 . . . . 3.49 110.529 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.49 140.67 49.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.72 -0.673 . . . . 2.28 110.306 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' CYS . 36.6 mm -126.41 159.61 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 2.11 110.359 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 49' ' ' ILE . 56.0 m -91.64 143.7 26.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 1.82 110.051 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.72 36.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.244 0.545 . . . . 1.23 110.695 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.692 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -109.57 151.92 42.5 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 115.582 -0.736 . . . . 2.22 109.972 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.18 6.83 5.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 121.792 1.661 . . . . 1.21 113.547 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -110.35 16.28 21.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.667 -0.413 . . . . 3.39 111.33 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.0 mptt -100.66 157.26 16.81 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.108 0.48 . . . . 2.31 110.465 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -77.86 -35.4 51.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.834 -0.621 . . . . 3.69 110.655 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 68.2 p-90 -79.61 -27.1 41.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.985 -0.552 . . . . 1.33 110.475 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 52' ' ' ASP . 89.2 t -73.65 -42.74 55.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 N-CA-C 109.054 -0.721 . . . . 0.97 109.054 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -62.82 -48.15 80.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.579 -0.737 . . . . 2.67 109.556 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -65.26 -33.72 76.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 1.87 109.342 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -65.31 -53.7 40.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.513 -0.767 . . . . 1.05 109.963 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 3.8 ttt -60.5 -42.43 96.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.914 -0.585 . . . . 1.92 110.414 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.99 -40.25 87.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.323 0.582 . . . . 2.73 109.687 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' CG ' HD22 ' A' ' 20' ' ' LEU . 67.7 t80 -61.47 -49.14 77.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.224 -0.898 . . . . 1.59 110.079 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 65' ' ' LEU . 62.0 mt -62.17 -40.37 95.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.898 -0.592 . . . . 1.67 110.292 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.92 -44.82 95.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.842 . . . . 1.95 110.097 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -91.19 16.21 10.31 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.482 -0.781 . . . . 3.11 112.201 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -50.07 -25.32 3.33 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.107 -0.497 . . . . 4.18 111.788 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -49.37 146.42 6.52 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-N 116.456 -0.338 . . . . 2.77 111.077 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.68 128.79 6.15 Favored 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.757 1.638 . . . . 4.16 112.892 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 71' ' ' THR . 5.1 t -177.5 63.55 0.19 Allowed Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.694 -0.685 . . . . 5.4 110.341 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -82.09 -69.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 121.793 1.662 . . . . 7.87 112.873 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 tttp 60.15 82.09 0.23 Allowed Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 116.222 -0.444 . . . . 11.77 110.48 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--O 1.22 -0.408 0 C-N-CA 121.836 1.69 . . . . 11.1 112.642 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 N-CA-C 109.537 -1.425 . . . . 13.64 109.537 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.08 -48.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 121.881 1.72 . . . . 12.69 112.648 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.56 179.76 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.859 -0.609 . . . . 10.41 110.431 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -130.87 -70.7 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 8.23 110.448 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.2 t -114.2 87.89 14.12 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.876 -0.602 . . . . 6.25 110.348 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.72 170.32 14.29 Favored 'Trans proline' 0 N--CA 1.474 0.344 0 C-N-CA 121.895 1.73 . . . . 5.11 112.466 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.6 m -161.09 -47.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.958 -0.565 . . . . 4.67 110.624 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.518 HG22 ' H ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER 60.96 173.28 0.1 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.0 -0.545 . . . . 3.87 110.275 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.518 ' H ' HG22 ' A' ' 8' ' ' THR . 1.1 m -81.66 179.54 7.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 2.4 110.321 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.2 t -99.04 -51.48 3.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.937 -0.574 . . . . 2.06 111.185 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 9' ' ' CYS . 30.1 m-85 62.37 32.38 16.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.279 0.562 . . . . 2.43 110.032 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -168.71 79.04 0.13 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.446 -0.797 . . . . 3.12 109.639 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 52' ' ' ASP . 32.5 mt -68.75 157.57 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.499 -0.773 . . . . 1.94 110.847 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.46 172.86 12.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.648 -0.706 . . . . 1.66 110.741 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -128.68 -46.39 1.29 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.647 -0.706 . . . . 2.95 110.352 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -73.87 128.56 35.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 4.27 110.379 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -61.48 136.51 58.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.859 -0.61 . . . . 3.18 110.747 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.462 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.8 mt -90.0 139.76 27.46 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 115.563 -0.744 . . . . 1.44 109.742 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -77.03 155.47 33.74 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.357 1.371 . . . . 1.63 112.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' CD2' ' A' ' 64' ' ' TYR . 32.6 mt -80.8 -43.18 20.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.163 -0.926 . . . . 1.43 111.172 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -58.73 -29.67 66.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.965 -0.561 . . . . 2.31 111.039 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -94.43 -10.41 32.52 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.046 -0.524 . . . . 4.07 111.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.5 mt -74.62 140.33 44.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.286 0.565 . . . . 1.58 110.934 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -111.49 -38.35 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.463 -0.789 . . . . 3.03 110.126 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 p -179.98 173.12 0.99 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.634 -0.712 . . . . 2.07 109.94 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CD1' ' A' ' 41' ' ' PHE . 12.1 p90 -135.82 160.69 37.78 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.141 0.496 . . . . 1.74 110.732 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -139.95 128.71 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.896 -0.593 . . . . 3.6 110.495 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.3 ttm180 -104.35 143.5 32.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.811 -0.632 . . . . 2.51 110.327 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.571 HD11 HD11 ' A' ' 40' ' ' ILE . 49.3 mt -113.76 134.43 56.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.507 -0.77 . . . . 1.7 110.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.17 30.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 2.31 110.484 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -73.98 -172.92 1.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.924 -0.58 . . . . 3.47 110.551 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -87.3 -24.36 37.14 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.216 -0.753 . . . . 2.68 111.216 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -69.5 -32.19 70.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.03 0.443 . . . . 5.35 110.64 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.52 142.86 58.37 Favored Pre-proline 0 CA--C 1.535 0.371 0 CA-C-N 116.006 -0.543 . . . . 2.1 110.425 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -83.62 -30.09 0.89 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 121.688 1.592 . . . . 2.27 112.26 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -131.08 -177.15 4.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.578 -0.737 . . . . 3.28 110.378 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -104.64 159.28 15.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.899 -0.591 . . . . 3.31 110.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -172.65 -177.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.008 -0.542 . . . . 1.22 110.648 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG12 ' N ' ' A' ' 40' ' ' ILE . 45.9 t -142.41 159.38 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.614 -0.721 . . . . 1.14 110.251 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 49' ' ' ILE . 45.9 mt -136.3 130.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.606 -0.725 . . . . 1.73 109.715 179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.689 ' HE2' HG13 ' A' ' 58' ' ' VAL . 50.4 m-85 -108.6 147.98 31.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.452 0.644 . . . . 1.49 111.278 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.23 131.09 55.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.228 -0.896 . . . . 2.95 109.433 179.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 p -101.66 -167.65 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 1.89 110.261 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.43 30.12 3.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.064 -0.516 . . . . 3.19 110.747 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -123.76 20.3 9.34 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.055 -0.52 . . . . 2.68 110.994 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.79 20.69 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 120.953 0.406 . . . . 2.57 110.727 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -131.2 150.23 52.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.059 -0.519 . . . . 3.49 110.538 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -116.55 152.15 34.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.682 -0.69 . . . . 2.28 110.245 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.9 mt -134.86 159.58 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.868 -0.606 . . . . 2.11 110.236 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.504 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.0 m -100.05 144.68 28.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.807 -0.633 . . . . 1.82 110.481 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.536 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -153.21 146.92 25.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.647 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.723 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.1 p30 -95.5 154.99 39.16 Favored Pre-proline 0 CA--C 1.532 0.258 0 CA-C-N 115.829 -0.623 . . . . 2.22 110.257 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.36 6.61 5.49 Favored 'Trans proline' 0 CA--C 1.534 0.514 0 C-N-CA 121.709 1.606 . . . . 1.21 113.567 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.26 19.89 18.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 120.633 -0.427 . . . . 3.39 111.274 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -100.38 169.98 8.73 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.065 0.46 . . . . 2.31 110.398 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -84.97 -47.56 10.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 3.69 110.744 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.462 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.8 p-90 -74.36 -27.51 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.33 110.308 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.711 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.6 t -74.53 -40.73 48.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 N-CA-C 109.179 -0.675 . . . . 0.97 109.179 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.51 -48.04 79.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.59 -0.732 . . . . 2.67 109.569 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.03 -35.18 79.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.437 -0.801 . . . . 1.87 109.271 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -63.98 -52.5 59.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.413 -0.812 . . . . 1.05 109.979 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.432 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 29.5 mtp -61.44 -44.44 97.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.783 -0.644 . . . . 1.92 110.366 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -64.91 -37.38 87.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.337 0.589 . . . . 2.73 109.556 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' CD2' HD22 ' A' ' 20' ' ' LEU . 55.9 t80 -63.8 -53.71 46.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.277 -0.874 . . . . 1.59 109.546 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 65' ' ' LEU . 75.4 mt -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 1.67 110.033 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.63 -37.34 86.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.324 -0.853 . . . . 1.95 109.991 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -90.58 13.72 15.13 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.631 -0.713 . . . . 3.11 111.535 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -59.56 -30.09 68.38 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.923 0.392 . . . . 4.18 110.851 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 t -88.24 112.64 50.9 Favored Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 116.046 -0.524 . . . . 2.77 110.457 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.03 -28.69 1.48 Allowed 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 121.611 1.541 . . . . 4.16 112.455 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.4 t -72.66 147.71 89.53 Favored Pre-proline 0 CA--C 1.534 0.333 0 CA-C-N 115.681 -0.691 . . . . 5.4 110.402 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.85 173.73 10.9 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 121.755 1.637 . . . . 7.87 112.634 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -115.13 85.94 13.2 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.902 -0.59 . . . . 11.77 110.497 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo . . . . . 0 C--O 1.22 -0.413 0 C-N-CA 121.885 1.723 . . . . 11.1 112.559 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.537 -1.425 . . . . 13.64 109.537 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -82.13 104.02 1.35 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.859 1.706 . . . . 12.69 112.571 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.98 -65.18 1.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 10.41 110.397 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.5 p -161.4 84.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.82 -0.627 . . . . 8.23 110.352 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 p -97.13 139.67 21.63 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.898 -0.592 . . . . 6.25 110.184 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.67 -168.6 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 121.692 1.594 . . . . 5.11 112.628 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -139.03 -52.52 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 4.67 110.427 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 m -154.54 -64.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.824 -0.625 . . . . 3.87 110.487 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.3 m -100.41 -172.66 2.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.661 -0.699 . . . . 2.4 110.174 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -122.69 118.18 27.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 2.06 110.407 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -109.32 -32.59 7.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.735 -0.666 . . . . 2.43 110.466 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -98.48 86.67 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 3.12 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.77 HD13 ' HB3' ' A' ' 52' ' ' ASP . 17.7 mt -66.04 140.62 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.777 -0.647 . . . . 1.94 110.391 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 142.71 56.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.66 110.48 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -103.83 -36.25 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.842 -0.617 . . . . 2.95 110.318 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.98 147.11 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.766 -0.652 . . . . 4.27 110.248 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.5 mttt -77.02 129.18 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.865 -0.607 . . . . 3.18 110.54 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.601 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 62.7 mt -89.88 139.92 27.66 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.66 -0.7 . . . . 1.44 109.91 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.6 Cg_endo -77.5 156.35 32.27 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.38 1.387 . . . . 1.63 112.918 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 64' ' ' TYR . 47.9 mt -80.71 -41.19 24.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.162 -0.926 . . . . 1.43 111.202 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -58.48 -29.92 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 2.31 111.107 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -91.29 -11.72 37.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 4.07 111.591 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.6 mt -75.17 146.95 40.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.469 0.652 . . . . 1.58 111.049 -179.473 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -119.03 -40.82 2.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.198 -0.91 . . . . 3.03 110.252 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -179.89 160.54 0.9 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.763 -0.653 . . . . 2.07 109.915 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CZ ' ' HG2' ' A' ' 62' ' ' MET . 12.4 p90 -124.58 157.55 35.15 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.146 0.498 . . . . 1.74 110.814 -179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -134.15 100.52 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 3.6 110.328 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -64.97 147.09 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.835 -0.621 . . . . 2.51 110.486 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.663 HD12 ' HB3' ' A' ' 38' ' ' ALA . 1.4 mt -104.63 -159.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.875 -0.787 . . . . 1.7 108.875 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.507 ' H ' HG22 ' A' ' 29' ' ' ILE . 0.2 OUTLIER 71.93 31.23 2.09 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.092 0.473 . . . . 2.31 110.083 -179.447 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t -69.53 -32.99 72.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.771 -0.649 . . . . 3.47 110.354 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.3 -31.02 1.43 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.879 -0.888 . . . . 2.68 110.879 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.87 48.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 5.35 110.52 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.75 151.08 82.26 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 115.952 -0.567 . . . . 2.1 110.475 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.69 -38.73 0.16 Allowed 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 121.905 1.736 . . . . 2.27 112.672 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -107.33 171.93 7.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.717 -0.674 . . . . 3.28 110.54 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -110.03 144.09 39.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.773 -0.649 . . . . 3.31 110.435 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.663 ' HB3' HD12 ' A' ' 29' ' ' ILE . . . -178.11 -177.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.958 -0.565 . . . . 1.22 110.547 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 47.0 t -129.14 158.97 41.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.806 -0.634 . . . . 1.14 110.135 179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.5 ' N ' HG12 ' A' ' 39' ' ' VAL . 33.1 mt -127.48 137.56 57.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.539 -0.755 . . . . 1.73 109.627 179.353 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.658 ' HE2' HG13 ' A' ' 58' ' ' VAL . 35.8 m-85 -117.17 148.4 41.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.403 0.62 . . . . 1.49 111.27 -179.251 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 23' ' ' LEU . 21.3 ttpt -122.37 139.4 53.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.112 -0.949 . . . . 2.95 109.558 179.179 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 64.5 p -108.52 -172.85 2.14 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.485 -0.779 . . . . 1.89 110.357 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -81.33 -1.63 46.07 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.008 -0.542 . . . . 3.19 111.695 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.2 mt -94.86 19.82 9.67 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 120.704 -0.398 . . . . 2.68 111.234 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.26 30.76 19.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.99 0.424 . . . . 2.57 110.869 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.35 160.7 23.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.025 -0.534 . . . . 3.49 110.311 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.595 ' C ' HD12 ' A' ' 49' ' ' ILE . 43.6 m-20 -124.87 154.72 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.66 -0.7 . . . . 2.28 110.517 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 49' ' ' ILE . 4.3 mp -141.19 159.74 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.441 0.639 . . . . 2.11 110.119 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' N ' HG22 ' A' ' 49' ' ' ILE . 81.6 m -94.56 140.04 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.248 -0.887 . . . . 1.82 110.451 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -143.97 145.54 32.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 1.23 110.759 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.77 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -93.76 152.41 40.68 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.725 -0.671 . . . . 2.22 110.187 179.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.92 6.92 5.37 Favored 'Trans proline' 0 N--CA 1.476 0.452 0 C-N-CA 121.754 1.636 . . . . 1.21 113.61 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -110.23 16.81 21.5 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.602 -0.439 . . . . 3.39 111.413 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -100.63 161.25 13.72 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.112 0.482 . . . . 2.31 110.457 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -79.09 -43.95 23.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.804 -0.635 . . . . 3.69 110.75 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.601 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -73.72 -28.23 61.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 1.33 110.396 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG11 ' O ' ' A' ' 52' ' ' ASP . 73.0 t -73.79 -40.55 53.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.162 -0.681 . . . . 0.97 109.162 178.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.2 -47.6 79.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.604 -0.725 . . . . 2.67 109.563 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -66.77 -34.47 77.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 1.87 109.272 178.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.5 m -64.72 -52.5 56.74 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.406 -0.816 . . . . 1.05 109.915 179.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.446 ' HG2' ' CZ ' ' A' ' 26' ' ' TYR . 2.6 ttm -61.86 -44.52 96.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.767 -0.651 . . . . 1.92 110.44 179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -65.64 -36.54 83.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.373 0.606 . . . . 2.73 109.708 179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' CD2' HD22 ' A' ' 20' ' ' LEU . 47.0 t80 -63.59 -52.5 60.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.275 -0.875 . . . . 1.59 109.792 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 65' ' ' LEU . 71.9 mt -66.26 -40.91 90.49 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.735 -0.666 . . . . 1.67 110.129 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -64.55 -32.82 74.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.297 -0.865 . . . . 1.95 110.24 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -66.81 -31.82 72.7 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.854 -0.612 . . . . 3.11 110.451 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -60.44 -32.92 71.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 4.18 110.604 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 m -74.91 161.29 78.22 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.761 -0.654 . . . . 2.77 110.435 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.96 86.48 1.55 Allowed 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 121.849 1.699 . . . . 4.16 112.572 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 71' ' ' THR . 3.8 t -153.78 89.42 3.46 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 115.792 -0.64 . . . . 5.4 110.47 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.15 61.87 8.31 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 121.845 1.697 . . . . 7.87 112.655 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt 41.14 62.28 6.83 Favored Pre-proline 0 N--CA 1.473 0.724 0 CA-C-N 115.55 -0.75 . . . . 11.77 112.04 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 C--O 1.22 -0.413 0 C-N-CA 121.839 1.693 . . . . 11.1 112.545 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.543 -1.423 . . . . 13.64 109.543 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.17 -48.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 121.906 1.737 . . . . 12.69 112.59 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.53 88.82 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.868 -0.606 . . . . 10.41 110.469 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 t 60.66 165.11 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.784 -0.644 . . . . 8.23 110.545 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.427 HG23 ' HD2' ' A' ' 6' ' ' PRO . 10.2 p -106.97 140.51 21.47 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.798 -0.637 . . . . 6.25 110.067 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 5' ' ' VAL . 40.7 Cg_endo -82.73 -169.18 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 121.687 1.591 . . . . 5.11 112.611 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.8 t -134.23 174.52 10.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.733 -0.667 . . . . 4.67 110.348 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 t -106.55 -32.18 8.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.921 -0.581 . . . . 3.87 110.485 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.4 m -131.58 -172.4 2.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.91 -0.586 . . . . 2.4 110.038 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.9 t -166.28 159.98 15.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.986 -0.552 . . . . 2.06 110.56 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.01 -47.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.582 -0.735 . . . . 2.43 110.299 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -71.45 70.07 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.745 -0.661 . . . . 3.12 110.079 179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD13 ' CG ' ' A' ' 52' ' ' ASP . 8.4 mt -60.15 140.77 56.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.745 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 138.66 58.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.675 -0.693 . . . . 1.66 110.333 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -92.98 -45.05 8.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.87 -0.604 . . . . 2.95 110.27 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -68.04 166.06 16.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.605 -0.725 . . . . 4.27 110.094 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HA ' ' CD2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -97.38 137.4 36.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 3.18 110.51 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 64.3 mt -89.72 139.84 27.91 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.685 -0.689 . . . . 1.44 109.823 179.849 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.25 155.49 32.91 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 121.426 1.418 . . . . 1.63 113.122 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.5 mt -80.73 -43.62 19.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.041 -0.981 . . . . 1.43 111.113 -179.494 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -57.55 -29.8 64.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.84 -0.618 . . . . 2.31 111.145 -179.462 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -95.14 -9.64 32.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.039 -0.528 . . . . 4.07 111.586 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.2 mt -73.0 147.7 44.9 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.515 0.674 . . . . 1.58 111.108 -179.43 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.33 -41.37 2.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.104 -0.953 . . . . 3.03 110.196 179.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -179.29 161.59 1.11 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.852 -0.613 . . . . 2.07 109.818 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -127.2 156.57 41.63 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.186 0.517 . . . . 1.74 110.879 -179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.13 115.61 14.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.697 -0.683 . . . . 3.6 110.378 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.506 ' HG3' HG22 ' A' ' 39' ' ' VAL . 13.7 ttt-85 -101.51 149.6 23.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.461 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.32 142.2 34.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.649 -0.705 . . . . 1.7 110.239 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.1 t -158.83 29.82 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 2.31 110.597 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -86.67 -171.49 3.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.918 -0.583 . . . . 3.47 110.4 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.53 33.55 6.12 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.735 -0.946 . . . . 2.68 110.735 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -112.11 -37.35 5.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.107 0.48 . . . . 5.35 110.492 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.4 m -91.6 153.87 44.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.771 -0.649 . . . . 2.1 110.5 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.75 -27.46 2.59 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 121.89 1.727 . . . . 2.27 112.553 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -136.63 139.42 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.806 -0.633 . . . . 3.28 110.441 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -74.76 118.15 17.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.841 -0.618 . . . . 3.31 110.396 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -127.23 -178.4 4.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.864 -0.607 . . . . 1.22 110.533 -179.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.8 t -132.91 158.97 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.661 -0.7 . . . . 1.14 110.246 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 49' ' ' ILE . 43.4 mt -134.53 130.5 53.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.465 -0.789 . . . . 1.73 109.562 179.234 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.648 ' CE2' HG13 ' A' ' 58' ' ' VAL . 41.7 m-85 -109.72 148.18 31.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.582 . . . . 1.49 110.988 -179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 23' ' ' LEU . 15.7 ttmm -126.33 140.61 52.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.368 -0.833 . . . . 2.95 109.91 179.276 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.3 p -100.93 -170.13 1.8 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.416 -0.811 . . . . 1.89 110.132 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -3.76 57.65 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.132 -0.485 . . . . 3.19 111.426 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.23 20.97 8.47 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.732 -0.387 . . . . 2.68 111.252 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.56 32.02 21.34 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.046 0.451 . . . . 2.57 110.933 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -115.1 146.05 41.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.953 -0.567 . . . . 3.49 110.324 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.639 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.5 m-20 -116.9 145.69 43.43 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.976 -0.556 . . . . 2.28 110.491 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 48' ' ' ASP . 41.6 mm -135.65 156.4 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.61 -0.723 . . . . 2.11 110.058 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' HG22 ' A' ' 49' ' ' ILE . 23.5 m -90.26 151.37 21.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.881 -0.6 . . . . 1.82 110.38 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.77 148.91 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.817 -0.629 . . . . 1.23 110.778 -179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.674 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.4 t0 -96.29 147.23 32.64 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.637 -0.71 . . . . 2.22 109.86 179.632 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -81.12 6.81 5.33 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 121.628 1.552 . . . . 1.21 113.613 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -110.23 18.95 19.4 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.809 -0.357 . . . . 3.39 111.023 179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -100.67 170.0 8.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.08 0.467 . . . . 2.31 110.381 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -85.23 -44.43 12.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.848 -0.614 . . . . 3.69 110.522 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.486 ' CE2' HG23 ' A' ' 58' ' ' VAL . 65.2 p-90 -73.4 -30.09 63.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.278 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.8 t -72.66 -40.18 61.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 0.97 109.324 178.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.3 -40.9 86.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.777 -0.647 . . . . 2.67 109.621 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.48 -33.51 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.619 -0.719 . . . . 1.87 109.182 178.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.9 m -68.2 -52.44 34.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.368 -0.833 . . . . 1.05 110.524 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.87 -34.66 78.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.052 -0.522 . . . . 1.92 110.291 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -71.76 -36.97 70.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.401 0.62 . . . . 2.73 109.566 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.827 ' CD2' HD22 ' A' ' 20' ' ' LEU . 51.1 t80 -64.98 -51.9 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.247 -0.888 . . . . 1.59 109.595 179.367 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 65' ' ' LEU . 63.3 mt -64.44 -40.65 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.657 -0.702 . . . . 1.67 110.122 179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.45 -34.28 73.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 1.95 109.915 179.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -90.53 14.6 12.69 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.491 -0.777 . . . . 3.11 111.485 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -29.66 53.99 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.981 0.42 . . . . 4.18 111.08 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.73 164.6 9.39 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.017 -0.538 . . . . 2.77 110.386 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.72 130.81 6.94 Favored 'Trans proline' 0 N--CA 1.474 0.377 0 C-N-CA 121.822 1.681 . . . . 4.16 112.588 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.6 t -157.15 147.95 16.36 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 115.827 -0.624 . . . . 5.4 110.368 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -82.57 132.86 6.9 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.749 1.633 . . . . 7.87 112.57 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 tttt 63.46 146.79 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.852 -0.613 . . . . 11.77 110.323 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.475 0.423 0 C-N-CA 121.761 1.641 . . . . 11.1 112.53 -179.916 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.524 -1.43 . . . . 13.64 109.524 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.11 -41.37 0.12 Allowed 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 121.886 1.724 . . . . 12.69 112.635 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.82 95.7 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.835 -0.62 . . . . 10.41 110.507 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.6 t -158.24 74.27 0.7 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.791 -0.641 . . . . 8.23 110.308 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.469 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 18.6 t -87.43 -45.2 0.51 Allowed Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 115.708 -0.678 . . . . 6.25 111.788 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 40.4 Cg_endo -79.28 146.83 20.04 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.247 1.298 . . . . 5.11 112.793 -179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.42 134.82 10.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.809 -0.632 . . . . 4.67 110.349 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.669 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.3 m 69.52 -67.32 0.23 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.753 -0.658 . . . . 3.87 110.614 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -118.45 -174.74 2.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 2.4 110.144 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -103.91 163.54 12.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.954 -0.566 . . . . 2.06 110.694 -179.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -138.24 -47.56 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.618 -0.719 . . . . 2.43 110.286 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -80.04 78.3 6.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.719 -0.673 . . . . 3.12 110.286 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.626 HD22 ' C ' ' A' ' 51' ' ' ALA . 6.9 mt -60.74 143.35 54.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.662 -0.699 . . . . 1.94 110.577 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.76 139.31 57.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.802 -0.636 . . . . 1.66 110.685 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.6 -33.71 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.737 -0.665 . . . . 2.95 110.241 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -81.18 129.42 34.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.761 -0.654 . . . . 4.27 110.294 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 pttm -60.51 135.44 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.877 -0.601 . . . . 3.18 110.713 -179.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.5 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 66.0 mt -90.0 140.24 27.54 Favored Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.752 -0.658 . . . . 1.44 109.901 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.7 Cg_endo -78.33 156.65 29.26 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 121.464 1.442 . . . . 1.63 113.06 -179.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.6 mt -80.86 -43.36 20.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.287 -0.87 . . . . 1.43 111.201 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -57.16 -29.91 64.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 2.31 111.143 -179.465 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -93.56 -9.37 38.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 4.07 111.606 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.8 mt -74.69 148.48 40.52 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.494 0.664 . . . . 1.58 111.3 -179.426 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -122.69 -41.78 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.094 -0.957 . . . . 3.03 110.226 179.45 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -179.66 150.72 0.42 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.857 -0.611 . . . . 2.07 109.991 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 8.6 p90 -115.97 172.1 7.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.11 0.481 . . . . 1.74 110.655 -179.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -154.77 142.82 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 3.6 110.485 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 26.4 ttp180 -115.89 141.67 47.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 2.51 110.403 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 56.2 mt -120.86 144.36 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.48 -0.782 . . . . 1.7 110.302 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -169.55 34.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.814 -0.63 . . . . 2.31 110.345 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.55 -172.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.785 -0.643 . . . . 3.47 110.523 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -95.58 -29.49 8.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.995 -0.842 . . . . 2.68 110.995 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.85 71.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.086 0.47 . . . . 5.35 110.415 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.669 ' SG ' HG22 ' A' ' 8' ' ' THR . 1.2 m -70.9 151.77 95.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.787 -0.642 . . . . 2.1 110.3 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.43 -36.96 0.24 Allowed 'Trans proline' 0 N--CA 1.474 0.363 0 C-N-CA 121.926 1.751 . . . . 2.27 112.538 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -134.12 175.11 9.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.608 -0.724 . . . . 3.28 110.246 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -119.77 152.66 36.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.915 -0.584 . . . . 3.31 110.579 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.78 -174.47 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.786 -0.643 . . . . 1.22 110.445 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 40' ' ' ILE . 42.3 t -119.83 158.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.366 0.603 . . . . 1.14 110.301 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.2 mp -135.76 129.83 48.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.285 -0.871 . . . . 1.73 109.637 179.381 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.624 ' HE2' HG13 ' A' ' 58' ' ' VAL . 57.3 m-85 -106.74 146.78 30.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 1.49 110.981 -179.396 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -122.01 129.09 52.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.38 -0.827 . . . . 2.95 109.869 179.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.7 p -89.8 -173.41 3.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 1.89 110.029 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -97.24 30.92 2.62 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.322 -0.399 . . . . 3.19 110.759 -179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.56 23.06 6.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.991 -0.549 . . . . 2.68 110.685 179.858 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.54 42.13 11.62 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.229 0.537 . . . . 2.57 110.338 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -135.57 151.31 50.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.776 -0.647 . . . . 3.49 110.543 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -126.18 153.16 45.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.801 -0.636 . . . . 2.28 110.132 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.604 ' O ' HG23 ' A' ' 40' ' ' ILE . 55.7 mt -139.36 159.25 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 2.11 110.349 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.495 ' N ' HG22 ' A' ' 49' ' ' ILE . 72.1 m -93.87 148.35 22.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 1.82 110.142 179.818 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.626 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -153.4 153.37 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.233 0.539 . . . . 1.23 111.023 -179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.644 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.9 t0 -99.2 145.72 30.49 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.504 -0.771 . . . . 2.22 109.805 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -79.76 3.41 7.58 Favored 'Trans proline' 0 N--CA 1.476 0.497 0 C-N-CA 121.539 1.493 . . . . 1.21 113.521 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -110.38 23.07 14.74 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.632 -0.427 . . . . 3.39 111.049 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' CG2' ' A' ' 58' ' ' VAL . 7.6 mmtp -100.5 170.12 8.61 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.103 0.478 . . . . 2.31 110.35 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -29.77 20.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.947 -0.569 . . . . 3.69 110.692 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.5 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -88.17 -28.9 20.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 120.508 -0.477 . . . . 1.33 110.094 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG11 ' O ' ' A' ' 52' ' ' ASP . 58.0 t -72.32 -45.89 59.13 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 116.041 -0.527 . . . . 0.97 109.61 179.153 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -63.52 -40.56 97.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.896 -0.593 . . . . 2.67 109.701 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -34.09 71.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.616 -0.72 . . . . 1.87 109.064 178.428 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.4 m -66.99 -55.34 14.87 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.39 -0.823 . . . . 1.05 110.398 179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -33.31 74.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.097 -0.501 . . . . 1.92 110.176 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -69.35 -39.39 78.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.424 0.63 . . . . 2.73 109.582 179.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.866 ' CD2' HD22 ' A' ' 20' ' ' LEU . 39.6 t80 -63.46 -53.83 45.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.126 -0.943 . . . . 1.59 109.537 179.288 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 65' ' ' LEU . 76.7 mt -62.61 -40.33 96.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.787 . . . . 1.67 110.151 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.43 -35.37 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.34 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -79.75 -51.36 9.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.815 -0.63 . . . . 3.11 110.515 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -61.66 -37.71 85.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.625 -0.716 . . . . 4.18 110.553 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -90.04 150.95 44.46 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.706 -0.679 . . . . 2.77 110.501 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -82.84 131.6 6.17 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.812 1.675 . . . . 4.16 112.488 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.587 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 10.9 t -77.69 -27.69 0.58 Allowed Pre-proline 0 CA--C 1.547 0.84 0 N-CA-C 113.411 0.893 . . . . 5.4 113.411 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 71' ' ' THR . 41.2 Cg_endo -81.84 -171.53 1.22 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 120.694 1.284 . . . . 7.87 112.495 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.8 mttt 60.24 88.87 0.11 Allowed Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 115.787 -0.642 . . . . 11.77 110.504 179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.408 0 C-N-CA 121.883 1.722 . . . . 11.1 112.582 179.96 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.551 -1.419 . . . . 13.64 109.551 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -81.8 56.83 6.05 Favored 'Trans proline' 0 N--CA 1.474 0.368 0 C-N-CA 121.768 1.645 . . . . 12.69 112.57 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.75 173.64 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.843 -0.617 . . . . 10.41 110.58 -179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.0 m -69.57 -177.42 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.837 -0.62 . . . . 8.23 110.427 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.9 t -70.84 139.76 85.93 Favored Pre-proline 0 CA--C 1.537 0.461 0 CA-C-N 115.865 -0.607 . . . . 6.25 110.007 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.02 85.66 1.76 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 121.611 1.54 . . . . 5.11 112.648 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.0 m -113.93 32.86 5.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.76 -0.655 . . . . 4.67 110.401 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -154.71 170.01 22.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.751 -0.659 . . . . 3.87 110.352 -179.916 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' H ' HG22 ' A' ' 8' ' ' THR . 11.2 m -106.84 -170.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.897 -0.592 . . . . 2.4 109.768 -179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 23.5 t -133.94 152.1 51.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.238 0.542 . . . . 2.06 110.735 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' CZ ' ' HG2' ' A' ' 35' ' ' PRO . 47.1 m-85 -129.76 -46.77 1.15 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.672 -0.695 . . . . 2.43 110.364 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -73.89 90.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 3.12 110.55 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.533 HD13 ' OD1' ' A' ' 52' ' ' ASP . 16.6 mt -82.44 143.06 31.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.772 -0.649 . . . . 1.94 110.406 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 49' ' ' ILE . . . -68.11 155.3 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.867 -0.606 . . . . 1.66 110.632 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.05 -40.73 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.746 -0.661 . . . . 2.95 110.269 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -64.24 165.2 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.649 -0.705 . . . . 4.27 110.4 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.6 mtmt -100.09 123.68 44.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 3.18 110.314 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.5 mt -89.95 140.11 27.6 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 115.766 -0.652 . . . . 1.44 110.03 -179.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.3 Cg_endo -79.99 159.47 24.04 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 121.611 1.541 . . . . 1.63 112.88 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 64' ' ' TYR . 43.3 mt -80.8 -43.49 19.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.389 -0.823 . . . . 1.43 111.106 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.47 -30.06 64.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 2.31 111.148 -179.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -90.35 -13.36 35.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 4.07 111.366 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -69.58 142.13 53.63 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.283 0.563 . . . . 1.58 111.062 -179.51 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -116.07 -40.62 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.36 -0.836 . . . . 3.03 109.893 179.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 p -169.79 -178.79 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.751 -0.658 . . . . 2.07 109.77 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.744 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.2 p90 -152.74 146.31 25.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.346 0.593 . . . . 1.74 110.928 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -123.31 118.58 27.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.358 -0.837 . . . . 3.6 110.263 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttt-85 -86.64 148.67 25.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 2.51 110.847 -179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 40' ' ' ILE . 2.6 mm -93.31 -153.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 108.564 -0.902 . . . . 1.7 108.564 179.599 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 37' ' ' LYS . 1.7 m 78.52 43.69 0.08 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.605 0.717 . . . . 2.31 109.666 -179.239 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -59.77 -160.16 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.993 -1.003 . . . . 3.47 110.413 179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -44.88 -33.67 3.65 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 116.517 -0.311 . . . . 2.68 112.495 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.58 67.27 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 120.131 -0.628 . . . . 5.35 111.6 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 m -76.58 157.31 82.44 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.439 -0.578 . . . . 2.1 109.439 178.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 11' ' ' PHE . 40.4 Cg_endo -81.61 -32.2 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.328 0 C-N-CA 121.691 1.594 . . . . 2.27 112.559 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -140.2 120.33 13.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.8 -0.636 . . . . 3.28 110.556 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' HG23 ' A' ' 30' ' ' THR . 36.3 mtmt -63.21 154.81 30.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.983 -0.553 . . . . 3.31 110.04 179.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.49 -171.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.136 0.493 . . . . 1.22 110.85 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 40' ' ' ILE . 91.8 t -145.3 160.32 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.627 -0.715 . . . . 1.14 109.755 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.809 HG13 HD11 ' A' ' 29' ' ' ILE . 45.3 mt -131.33 135.86 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.012 -0.54 . . . . 1.73 109.771 179.237 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' CE2' HG13 ' A' ' 58' ' ' VAL . 45.9 m-85 -113.22 156.92 22.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.328 0.585 . . . . 1.49 110.851 -179.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 23' ' ' LEU . 33.7 mttt -136.27 130.86 33.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.362 -0.836 . . . . 2.95 109.676 179.426 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -93.53 -163.44 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.7 -0.682 . . . . 1.89 109.863 -179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.23 28.55 2.81 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 120.893 0.378 . . . . 3.19 111.014 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -123.29 19.44 9.8 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.302 -0.408 . . . . 2.68 110.957 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.9 33.94 21.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.08 0.467 . . . . 2.57 110.569 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -122.94 142.68 50.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 3.49 110.597 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.693 ' O ' HD13 ' A' ' 49' ' ' ILE . 1.2 m-20 -115.01 140.85 48.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.815 -0.63 . . . . 2.28 110.416 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 48' ' ' ASP . 36.9 mm -135.01 135.51 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.84 -0.618 . . . . 2.11 110.21 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.3 m -73.78 155.54 38.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.141 0.496 . . . . 1.82 110.452 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.504 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -152.11 147.99 27.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.747 -0.661 . . . . 1.23 110.856 -179.37 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.661 ' O ' HG11 ' A' ' 58' ' ' VAL . 4.0 t0 -89.89 145.72 33.81 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 115.684 -0.689 . . . . 2.22 109.441 179.389 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -79.63 4.58 6.55 Favored 'Trans proline' 0 N--CA 1.476 0.461 0 C-N-CA 121.529 1.486 . . . . 1.21 113.72 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -110.19 21.46 16.72 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.703 -0.399 . . . . 3.39 110.907 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.43 165.06 11.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 121.046 0.45 . . . . 2.31 110.347 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -80.54 -44.7 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.852 -0.613 . . . . 3.69 110.562 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.518 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.1 p-90 -75.8 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 1.33 110.256 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG11 ' O ' ' A' ' 52' ' ' ASP . 46.9 t -74.76 -40.49 46.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 109.725 -0.472 . . . . 0.97 109.725 179.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.92 -41.29 91.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.852 -0.613 . . . . 2.67 109.721 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -73.7 -33.23 64.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.544 -0.753 . . . . 1.87 109.321 178.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.6 m -69.07 -49.35 58.11 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 115.467 -0.788 . . . . 1.05 110.628 179.715 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -68.02 -36.48 80.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 1.92 110.087 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -71.06 -36.09 72.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.374 0.607 . . . . 2.73 109.603 179.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 20' ' ' LEU . 31.6 t80 -63.61 -51.29 65.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.171 -0.922 . . . . 1.59 109.788 179.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' CD1' ' A' ' 26' ' ' TYR . 59.2 mt -66.38 -42.13 88.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.788 -0.642 . . . . 1.67 110.102 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.15 -32.01 72.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.35 -0.841 . . . . 1.95 110.257 179.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.42 -48.66 78.7 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.905 -0.589 . . . . 3.11 110.383 179.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.5 tptp -78.87 -64.15 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.604 -0.725 . . . . 4.18 110.424 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 m -69.88 165.6 40.6 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.643 -0.708 . . . . 2.77 110.468 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.31 177.18 7.35 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 121.878 1.719 . . . . 4.16 112.673 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 m -121.14 90.6 47.43 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.732 -0.667 . . . . 5.4 110.427 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.27 -178.32 4.23 Favored 'Trans proline' 0 N--CA 1.475 0.414 0 C-N-CA 121.724 1.616 . . . . 7.87 112.635 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.0 mttt 61.84 154.52 0.11 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 115.773 -0.649 . . . . 11.77 110.459 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.22 -0.377 0 C-N-CA 121.854 1.703 . . . . 11.1 112.622 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.575 -1.41 . . . . 13.64 109.575 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.09 140.52 11.24 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.798 1.665 . . . . 12.69 112.609 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.0 148.27 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.631 . . . . 10.41 110.444 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.3 t -120.76 121.04 37.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.844 -0.616 . . . . 8.23 110.422 179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.5 t -98.69 139.66 21.25 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.799 -0.637 . . . . 6.25 110.196 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -82.77 175.5 8.64 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.716 1.611 . . . . 5.11 112.598 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.8 m -82.84 -40.14 20.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.85 -0.614 . . . . 4.67 110.483 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.1 t -177.53 176.76 1.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.801 -0.636 . . . . 3.87 110.283 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.8 m -79.77 -172.92 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 2.4 110.083 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.31 104.68 8.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.969 -0.559 . . . . 2.06 110.318 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -100.05 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 2.43 110.105 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 60.14 83.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 3.12 110.419 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.576 HD13 ' CG ' ' A' ' 52' ' ' ASP . 9.1 mt -59.43 140.2 56.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.701 -0.681 . . . . 1.94 110.662 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.74 132.78 50.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.633 -0.712 . . . . 1.66 110.431 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 2.95 110.219 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.5 mtm-85 -67.55 169.37 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.763 -0.653 . . . . 4.27 110.21 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -99.81 142.84 30.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.071 -0.714 . . . . 3.18 109.071 -179.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.646 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 64.9 mt -106.63 139.75 20.66 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.647 -0.706 . . . . 1.44 109.748 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.3 Cg_endo -76.6 155.5 35.66 Favored 'Trans proline' 0 N--CA 1.477 0.503 0 C-N-CA 121.382 1.388 . . . . 1.63 113.028 -179.879 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 64' ' ' TYR . 54.5 mt -80.86 -49.49 10.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.114 -0.948 . . . . 1.43 111.342 -179.212 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -55.55 -28.36 54.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.885 -0.598 . . . . 2.31 111.504 -179.162 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -89.54 -14.81 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 4.07 111.411 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.4 mt -71.48 145.74 49.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.296 0.569 . . . . 1.58 111.105 -179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -117.28 -40.17 3.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.37 -0.832 . . . . 3.03 110.255 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.6 p -178.64 160.42 1.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.871 -0.604 . . . . 2.07 109.929 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.448 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 25.6 p90 -123.97 155.78 37.58 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.153 0.502 . . . . 1.74 110.914 -179.814 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.741 ' O ' HD12 ' A' ' 40' ' ' ILE . 34.9 mmt-85 -135.37 124.88 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.634 -0.712 . . . . 3.6 110.244 179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.0 ttp85 -105.73 149.47 26.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.872 -0.604 . . . . 2.51 110.557 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 55.1 mt -120.28 138.34 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.723 -0.672 . . . . 1.7 110.275 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -160.76 30.17 0.15 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 2.31 110.519 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -88.21 -173.33 4.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.014 -0.539 . . . . 3.47 110.467 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.68 30.61 10.01 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.793 -0.923 . . . . 2.68 110.793 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -111.74 -35.73 5.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.061 0.458 . . . . 5.35 110.437 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.9 m -86.57 157.24 55.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.869 -0.605 . . . . 2.1 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.38 -26.98 2.45 Favored 'Trans proline' 0 N--CA 1.474 0.371 0 C-N-CA 121.848 1.699 . . . . 2.27 112.632 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -145.7 132.39 19.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 3.28 110.467 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -67.33 157.8 33.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.814 -0.63 . . . . 3.31 110.366 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -178.26 -178.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.914 -0.585 . . . . 1.22 110.483 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 40' ' ' ILE . 44.2 t -123.85 158.28 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.238 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.6 mp -133.38 130.27 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.314 -0.857 . . . . 1.73 109.525 179.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.671 ' CE2' HG13 ' A' ' 58' ' ' VAL . 31.0 m-85 -109.41 148.11 31.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.327 0.584 . . . . 1.49 111.044 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 23' ' ' LEU . 14.4 tttp -128.26 139.03 52.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.327 -0.851 . . . . 2.95 109.755 179.445 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.1 p -99.02 -166.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.341 -0.845 . . . . 1.89 110.034 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -97.31 29.0 3.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.875 0.369 . . . . 3.19 110.845 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mt -126.29 21.6 7.28 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.186 -0.461 . . . . 2.68 110.905 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.51 42.27 11.54 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.239 0.543 . . . . 2.57 110.483 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -129.78 155.07 46.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.806 -0.634 . . . . 3.49 110.404 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.719 ' O ' HD13 ' A' ' 49' ' ' ILE . 24.1 m-20 -130.52 147.21 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.819 -0.628 . . . . 2.28 110.383 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 48' ' ' ASP . 35.2 mm -136.42 156.61 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 2.11 110.308 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 49' ' ' ILE . 71.9 m -93.59 142.2 27.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.855 -0.612 . . . . 1.82 110.316 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -148.77 151.31 34.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.837 -0.62 . . . . 1.23 110.799 -179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.664 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.7 t0 -97.63 147.89 33.66 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.554 -0.748 . . . . 2.22 109.864 179.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -80.19 4.96 6.36 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 121.609 1.539 . . . . 1.21 113.538 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -109.75 22.01 16.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 120.732 -0.387 . . . . 3.39 110.815 179.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -100.51 169.61 8.95 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.079 0.466 . . . . 2.31 110.286 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -40.83 17.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.943 -0.571 . . . . 3.69 110.755 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.646 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.9 p-90 -80.98 -27.57 35.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.51 . . . . 1.33 110.527 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.671 HG13 ' CE2' ' A' ' 41' ' ' PHE . 65.0 t -73.89 -42.83 53.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 109.191 -0.67 . . . . 0.97 109.191 178.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -62.22 -48.41 80.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.561 -0.745 . . . . 2.67 109.604 179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.37 -0.832 . . . . 1.87 109.284 178.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -63.92 -52.49 59.6 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.331 -0.85 . . . . 1.05 110.093 179.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.4 ttm -60.11 -43.16 95.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.85 -0.614 . . . . 1.92 110.467 179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -65.66 -40.25 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.358 0.599 . . . . 2.73 109.751 179.489 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CD2' HD22 ' A' ' 20' ' ' LEU . 66.7 t80 -63.92 -51.13 65.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.276 -0.875 . . . . 1.59 109.572 179.446 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' HE3' ' A' ' 68' ' ' LYS . 72.0 mt -64.52 -40.8 96.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.679 -0.691 . . . . 1.67 110.222 -179.893 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.96 -35.35 78.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 1.95 110.247 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -82.72 -29.16 30.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.758 -0.656 . . . . 3.11 110.713 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HE3' HD23 ' A' ' 65' ' ' LEU . 5.3 ttmt -58.6 -19.76 41.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.923 -0.58 . . . . 4.18 111.498 -179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.9 p -51.28 148.49 8.49 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 121.212 -0.195 . . . . 2.77 111.184 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.56 -165.91 0.36 Allowed 'Trans proline' 0 N--CA 1.476 0.441 0 C-N-CA 121.938 1.759 . . . . 4.16 112.812 -179.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.7 p 52.85 72.47 1.16 Allowed Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 115.592 -0.731 . . . . 5.4 111.028 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -83.25 117.98 2.56 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 121.907 1.738 . . . . 7.87 112.474 179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 2.4 mtpp 176.09 -55.23 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.954 -0.566 . . . . 11.77 110.433 179.775 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.8 Cg_endo . . . . . 0 C--N 1.349 0.561 0 C-N-CA 121.522 1.481 . . . . 11.1 112.589 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.509 -1.436 . . . . 13.64 109.509 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.28 104.38 1.36 Allowed 'Trans proline' 0 N--CA 1.475 0.389 0 C-N-CA 121.937 1.758 . . . . 12.69 112.547 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.31 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.923 -0.581 . . . . 10.41 110.494 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.4 t -135.77 34.94 2.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.941 -0.572 . . . . 8.23 110.431 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.0 150.5 78.14 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.826 -0.625 . . . . 6.25 110.552 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' C ' HG22 ' A' ' 7' ' ' THR . 40.4 Cg_endo -82.97 178.99 5.53 Favored 'Trans proline' 0 N--CA 1.475 0.403 0 C-N-CA 121.854 1.702 . . . . 5.11 112.563 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 6' ' ' PRO . 4.9 t 41.19 59.79 2.22 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.65 -0.704 . . . . 4.67 112.032 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -61.48 122.41 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 3.87 110.444 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 33.4 m -126.86 -172.33 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.584 . . . . 2.4 110.192 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -112.85 105.11 13.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 2.06 110.364 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -107.12 32.9 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.835 -0.621 . . . . 2.43 110.388 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -161.34 81.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.861 -0.609 . . . . 3.12 110.525 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 52' ' ' ASP . 29.2 mt -61.35 140.09 58.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.826 -0.624 . . . . 1.94 110.409 179.805 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.77 127.89 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.85 -0.614 . . . . 1.66 110.497 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -91.33 -33.47 15.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.812 -0.631 . . . . 2.95 110.183 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -66.41 162.0 21.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.093 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -95.3 136.89 35.09 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 109.127 -0.694 . . . . 3.18 109.127 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 63.9 mt -104.83 139.92 20.57 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.549 -0.75 . . . . 1.44 109.765 179.818 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.4 Cg_endo -77.59 154.03 30.75 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 121.332 1.355 . . . . 1.63 113.185 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD23 HD12 ' A' ' 23' ' ' LEU . 76.3 mt -80.82 -43.12 20.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.077 -0.965 . . . . 1.43 111.126 -179.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -57.54 -29.92 64.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.769 -0.651 . . . . 2.31 111.207 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -90.31 -13.57 34.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.991 -0.55 . . . . 4.07 111.348 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 42' ' ' LYS . 7.3 mt -68.53 146.34 53.2 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.343 0.592 . . . . 1.58 111.142 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -118.5 -41.64 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.266 -0.879 . . . . 3.03 110.158 179.448 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t 179.71 149.5 0.31 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.794 -0.639 . . . . 2.07 109.999 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -111.88 155.63 23.33 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.547 -0.461 . . . . 1.74 110.704 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -128.04 101.35 6.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 3.6 110.468 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 39' ' ' VAL . 26.5 ttm180 -77.65 146.88 35.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 2.51 110.387 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 40' ' ' ILE . 43.6 mt -116.11 131.49 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.623 -0.717 . . . . 1.7 110.332 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t 178.81 39.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.612 -0.722 . . . . 2.31 110.376 179.831 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -80.95 -56.15 4.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 3.47 110.622 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.75 -24.81 1.48 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.037 -0.825 . . . . 2.68 111.037 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -69.46 -28.85 66.46 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.921 0.391 . . . . 5.35 110.703 -179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.81 157.9 71.24 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.229 -0.441 . . . . 2.1 110.293 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -81.66 -25.64 3.56 Favored 'Trans proline' 0 N--CA 1.475 0.395 0 C-N-CA 121.876 1.718 . . . . 2.27 112.758 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -143.52 151.08 39.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.966 -0.561 . . . . 3.28 110.471 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -82.79 148.38 27.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.83 -0.623 . . . . 3.31 110.41 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -168.81 -177.32 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.886 -0.597 . . . . 1.22 110.42 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 28' ' ' ARG . 41.4 t -128.16 158.49 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.911 -0.586 . . . . 1.14 110.516 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 29' ' ' ILE . 50.5 mt -131.28 139.06 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.267 -0.879 . . . . 1.73 109.51 179.172 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.599 ' CE2' HG13 ' A' ' 58' ' ' VAL . 29.5 m-85 -118.27 146.95 43.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.335 0.588 . . . . 1.49 111.029 -179.467 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.747 ' O ' HD23 ' A' ' 23' ' ' LEU . 29.6 ttmt -127.9 140.0 52.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.198 -0.91 . . . . 2.95 109.819 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 p -104.01 -166.67 1.28 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.312 -0.858 . . . . 1.89 109.96 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -97.79 29.11 3.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.964 0.412 . . . . 3.19 110.605 179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.69 20.51 10.2 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.122 -0.49 . . . . 2.68 110.924 179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.87 42.03 13.65 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.221 0.534 . . . . 2.57 110.622 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -135.96 160.59 38.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.887 -0.597 . . . . 3.49 110.358 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -134.77 154.62 51.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.722 -0.672 . . . . 2.28 110.492 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 54.9 mt -142.09 159.57 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.75 -0.659 . . . . 2.11 110.308 179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 67.2 m -95.9 139.44 32.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.815 -0.63 . . . . 1.82 110.324 179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -138.45 145.72 41.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.784 -0.644 . . . . 1.23 110.623 -179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.706 ' O ' HG11 ' A' ' 58' ' ' VAL . 11.5 p-10 -90.37 150.93 43.82 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.755 -0.657 . . . . 2.22 110.236 179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.56 6.49 5.6 Favored 'Trans proline' 0 N--CA 1.476 0.498 0 C-N-CA 121.781 1.654 . . . . 1.21 113.571 -179.729 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.9 tttp -110.21 19.89 18.42 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.566 -0.454 . . . . 3.39 111.217 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' HD2' ' CD1' ' A' ' 57' ' ' TRP . 13.6 mmtm -100.6 162.38 12.97 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 121.079 0.466 . . . . 2.31 110.4 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -82.63 -37.25 25.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.851 -0.613 . . . . 3.69 110.55 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.522 ' CE2' HG23 ' A' ' 58' ' ' VAL . 66.0 p-90 -81.23 -30.37 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 1.33 110.247 179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.706 HG11 ' O ' ' A' ' 52' ' ' ASP . 93.9 t -70.59 -45.85 72.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 N-CA-C 109.327 -0.62 . . . . 0.97 109.327 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.13 -46.84 88.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.669 -0.696 . . . . 2.67 109.736 179.718 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.48 -33.08 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.428 -0.806 . . . . 1.87 109.205 178.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.7 m -65.06 -54.64 26.92 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.403 -0.817 . . . . 1.05 110.457 179.568 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.506 ' HE2' HG12 ' A' ' 58' ' ' VAL . 20.2 ptp -61.45 -38.25 86.5 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.526 -0.47 . . . . 1.92 110.599 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -70.77 -37.84 73.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.365 0.602 . . . . 2.73 109.878 179.52 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CD2' HD22 ' A' ' 20' ' ' LEU . 60.7 t80 -66.58 -49.05 67.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.25 -0.887 . . . . 1.59 109.661 179.512 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 65' ' ' LEU . 67.5 mt -65.75 -40.58 92.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 1.67 110.145 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -61.35 -35.89 78.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.385 -0.825 . . . . 1.95 110.328 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -69.37 -43.9 72.61 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.818 -0.628 . . . . 3.11 110.404 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.02 19.69 5.48 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.666 -0.697 . . . . 4.18 111.643 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.48 151.17 47.93 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 120.821 -0.352 . . . . 2.77 110.492 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -82.39 -166.54 0.4 Allowed 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 121.906 1.737 . . . . 4.16 112.569 179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.9 p -107.53 149.96 39.51 Favored Pre-proline 0 CA--C 1.534 0.33 0 CA-C-N 115.853 -0.612 . . . . 5.4 110.407 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.23 115.92 2.66 Favored 'Trans proline' 0 N--CA 1.475 0.386 0 C-N-CA 121.857 1.705 . . . . 7.87 112.652 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.78 152.04 1.04 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.877 -0.601 . . . . 11.77 110.438 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.877 1.718 . . . . 11.1 112.546 -179.958 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.577 -1.409 . . . . 13.64 109.577 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.51 ' HG2' HG21 ' A' ' 7' ' ' THR . 40.1 Cg_endo -81.51 91.55 1.08 Allowed 'Trans proline' 0 N--CA 1.475 0.416 0 C-N-CA 121.809 1.672 . . . . 12.69 112.558 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.3 -79.77 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 115.738 -0.664 . . . . 10.41 110.65 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 t 175.34 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.402 -0.363 . . . . 8.23 110.579 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.54 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 p -92.69 -29.92 0.3 Allowed Pre-proline 0 CA--C 1.55 0.95 0 N-CA-C 113.82 1.045 . . . . 6.25 113.82 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 5' ' ' VAL . 39.3 Cg_endo -79.0 72.23 6.62 Favored 'Trans proline' 0 C--N 1.354 0.852 0 CA-C-N 120.91 1.361 . . . . 5.11 112.581 -179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.51 HG21 ' HG2' ' A' ' 2' ' ' PRO . 5.3 t -166.98 34.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.791 -0.64 . . . . 4.67 110.527 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.2 t -124.62 12.79 8.64 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.931 -0.577 . . . . 3.87 111.416 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.3 m -107.48 -169.65 1.57 Allowed 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 109.785 -0.45 . . . . 2.4 109.785 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 22.8 t -160.43 152.19 19.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.268 0.556 . . . . 2.06 110.715 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -135.8 160.22 39.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.519 -0.764 . . . . 2.43 110.061 179.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.17 68.25 0.74 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.522 0.677 . . . . 3.12 110.218 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 52' ' ' ASP . 9.6 mt -62.71 145.4 54.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 1.94 110.557 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.77 145.03 46.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.812 -0.631 . . . . 1.66 110.682 -179.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -105.65 -36.99 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.817 -0.628 . . . . 2.95 110.339 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -68.23 154.73 41.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.781 -0.645 . . . . 4.27 110.207 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 22.1 mttp -86.32 127.62 34.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.836 -0.62 . . . . 3.18 110.649 -179.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.598 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 68.3 mt -89.78 140.14 27.85 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 115.623 -0.717 . . . . 1.44 109.767 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -76.19 155.95 37.67 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.379 1.386 . . . . 1.63 113.119 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 64' ' ' TYR . 29.4 mt -80.68 -42.84 21.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.131 -0.941 . . . . 1.43 111.24 -179.375 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.55 -29.89 64.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.893 -0.594 . . . . 2.31 111.18 -179.415 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.42 -13.94 39.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 4.07 111.459 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 42' ' ' LYS . 5.6 mt -74.98 153.33 38.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.564 0.697 . . . . 1.58 111.639 -179.18 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -42.58 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.755 -1.111 . . . . 3.03 110.179 179.44 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 91.7 p -167.22 177.58 6.08 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.844 -0.616 . . . . 2.07 109.846 179.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' HD1' HD13 ' A' ' 65' ' ' LEU . 1.3 p90 -149.0 158.22 44.02 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 120.315 -0.554 . . . . 1.74 111.202 179.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 40' ' ' ILE . 6.1 mtt-85 -134.98 119.04 17.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.521 -0.763 . . . . 3.6 110.186 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -89.17 150.43 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.843 -0.617 . . . . 2.51 110.703 -179.729 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.473 ' CG1' HD11 ' A' ' 40' ' ' ILE . 43.0 mm -111.39 138.22 40.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.644 -0.707 . . . . 1.7 110.195 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 t -159.25 31.01 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.869 -0.605 . . . . 2.31 110.392 179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.12 132.03 39.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.842 -0.617 . . . . 3.47 110.528 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -60.89 -26.27 65.14 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.122 -0.791 . . . . 2.68 111.122 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -69.71 -35.91 75.47 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.031 0.443 . . . . 5.35 110.536 -179.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.2 m -63.41 151.09 88.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 2.1 110.312 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -81.43 -27.61 2.68 Favored 'Trans proline' 0 N--CA 1.473 0.288 0 C-N-CA 121.892 1.728 . . . . 2.27 112.497 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -150.37 134.2 16.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.807 -0.633 . . . . 3.28 110.434 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 169.91 1.5 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.399 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -176.77 -178.16 0.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.018 -0.537 . . . . 1.22 110.735 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.8 t -140.52 159.01 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.613 -0.721 . . . . 1.14 110.002 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 49' ' ' ILE . 4.3 mp -135.95 129.49 47.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.592 -0.731 . . . . 1.73 109.699 179.216 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HB3' HD21 ' A' ' 23' ' ' LEU . 52.0 m-85 -106.79 146.22 31.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.577 . . . . 1.49 110.968 -179.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.737 ' O ' HD23 ' A' ' 23' ' ' LEU . 55.0 tttt -119.57 139.82 51.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.308 -0.86 . . . . 2.95 109.525 179.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.8 p -105.51 -169.34 1.58 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.463 -0.79 . . . . 1.89 110.075 -179.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 pttt -98.32 29.45 3.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.244 -0.434 . . . . 3.19 110.862 -179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.6 mt -124.72 21.14 8.44 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.157 -0.474 . . . . 2.68 111.05 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 38.52 17.82 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.227 0.537 . . . . 2.57 110.647 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -135.8 142.06 44.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 3.49 110.482 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.669 ' O ' HD13 ' A' ' 49' ' ' ILE . 15.7 m-20 -117.46 146.62 43.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.803 -0.635 . . . . 2.28 110.491 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.669 HD13 ' O ' ' A' ' 48' ' ' ASP . 38.4 mm -135.3 154.8 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.789 -0.641 . . . . 2.11 110.123 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 49' ' ' ILE . 2.0 m -92.47 156.24 17.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 1.82 110.283 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -154.34 151.7 29.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.798 -0.637 . . . . 1.23 111.001 -179.46 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.668 ' CB ' HD13 ' A' ' 13' ' ' LEU . 19.2 t70 -89.73 139.62 27.85 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 115.493 -0.776 . . . . 2.22 109.697 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -77.66 2.14 8.12 Favored 'Trans proline' 0 N--CA 1.476 0.494 0 C-N-CA 121.446 1.431 . . . . 1.21 113.775 -179.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -110.09 24.32 13.17 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 120.665 -0.414 . . . . 3.39 110.758 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.57 169.29 9.16 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.009 0.433 . . . . 2.31 110.209 179.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -85.07 -36.79 20.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.899 -0.592 . . . . 3.69 110.69 -179.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.598 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 67.2 p-90 -83.95 -29.81 26.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.321 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.661 HG13 ' HE2' ' A' ' 41' ' ' PHE . 58.9 t -71.04 -46.24 68.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.288 -0.634 . . . . 0.97 109.288 178.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -60.72 -47.41 86.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.743 -0.662 . . . . 2.67 109.715 179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.0 -32.84 74.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.402 -0.817 . . . . 1.87 109.158 178.463 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.443 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 3.8 m -65.75 -54.21 30.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.455 -0.793 . . . . 1.05 110.432 179.668 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 ptm -61.5 -36.55 80.82 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.509 -0.476 . . . . 1.92 110.406 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 tptm -69.88 -34.15 73.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.332 0.587 . . . . 2.73 109.784 179.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.67 ' CD2' HD22 ' A' ' 20' ' ' LEU . 41.6 t80 -62.22 -51.95 65.74 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.347 -0.842 . . . . 1.59 110.1 179.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 65' ' ' LEU . 47.7 mt -63.88 -43.28 96.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.937 -0.574 . . . . 1.67 110.356 -179.717 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -60.26 -33.15 71.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.637 -0.71 . . . . 1.95 109.774 179.157 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -90.83 15.05 11.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.605 -0.725 . . . . 3.11 111.538 179.627 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.0 -28.19 6.56 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.963 0.411 . . . . 4.18 111.244 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.2 p -62.06 151.07 81.87 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 116.048 -0.524 . . . . 2.77 110.355 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -81.93 171.05 13.35 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 121.807 1.671 . . . . 4.16 112.57 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.772 HG22 ' HD2' ' A' ' 72' ' ' PRO . 0.2 OUTLIER 63.73 144.2 0.07 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.708 -0.678 . . . . 5.4 110.381 -179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.772 ' HD2' HG22 ' A' ' 71' ' ' THR . 41.4 Cg_endo -83.14 100.18 0.92 Allowed 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.835 1.69 . . . . 7.87 112.498 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -118.14 89.09 34.14 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.002 -0.544 . . . . 11.77 110.565 179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 121.7 1.6 . . . . 11.1 112.542 179.969 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.553 -1.419 . . . . 13.64 109.553 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.04 142.89 12.58 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.921 1.747 . . . . 12.69 112.536 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.91 -44.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.821 -0.627 . . . . 10.41 110.444 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.0 p -64.56 140.18 58.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.814 -0.63 . . . . 8.23 110.436 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.6 t 50.37 82.53 0.24 Allowed Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.922 -0.581 . . . . 6.25 111.297 179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.82 122.74 3.97 Favored 'Trans proline' 0 N--CA 1.475 0.401 0 C-N-CA 121.817 1.678 . . . . 5.11 112.567 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.17 164.04 14.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.828 -0.624 . . . . 4.67 110.449 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 40' ' ' ILE . 30.2 m -87.58 -56.66 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.76 -0.655 . . . . 3.87 110.314 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' HA ' HD13 ' A' ' 29' ' ' ILE . 59.4 m -79.6 -24.03 42.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.763 . . . . 2.4 110.95 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.0 m 65.42 129.93 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.053 0.454 . . . . 2.06 110.293 -179.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -121.0 -22.23 6.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.89 -0.595 . . . . 2.43 112.103 -179.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -117.11 16.3 14.98 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.088 -0.645 . . . . 3.12 112.694 -179.296 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 37.39 -160.04 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.12 0 O-C-N 123.455 0.472 . . . . 1.94 112.159 177.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.31 143.83 51.16 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.106 0.479 . . . . 1.66 110.465 179.824 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -102.81 -34.63 8.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.846 -0.616 . . . . 2.95 110.327 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.68 118.93 20.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.751 -0.659 . . . . 4.27 110.247 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -60.17 151.44 27.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 3.18 110.739 -179.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.1 mt -110.94 140.02 22.31 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 115.642 -0.708 . . . . 1.44 109.927 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -79.19 159.71 26.53 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.475 1.45 . . . . 1.63 112.696 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.855 HD22 ' CD2' ' A' ' 64' ' ' TYR . 28.3 mt -80.48 -39.77 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.506 -0.77 . . . . 1.43 111.048 -179.492 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -59.91 -30.32 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.923 -0.58 . . . . 2.31 110.893 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -92.25 -11.27 35.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.976 -0.556 . . . . 4.07 111.507 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.1 mt -74.74 138.19 42.55 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.309 0.576 . . . . 1.58 110.924 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.2 -34.16 6.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 3.03 110.215 179.435 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.9 p -178.19 -172.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.851 -0.613 . . . . 2.07 110.051 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.609 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -154.45 155.68 35.37 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.108 -0.496 . . . . 1.74 110.508 179.779 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -140.26 111.35 7.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 3.6 110.735 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 -82.7 149.21 27.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.818 -0.628 . . . . 2.51 110.066 179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 40' ' ' ILE . 19.3 mt -111.16 120.6 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.851 -0.613 . . . . 1.7 110.386 -179.863 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.624 HG23 ' HG2' ' A' ' 37' ' ' LYS . 6.1 m -165.85 32.35 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.279 -0.873 . . . . 2.31 110.247 179.69 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.4 t -81.33 -62.68 1.58 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.876 -0.602 . . . . 3.47 110.846 -179.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 155.04 -24.87 0.61 Allowed Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.301 -0.72 . . . . 2.68 111.301 -179.671 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -69.29 -32.16 71.13 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.965 0.412 . . . . 5.35 110.382 -179.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' SG ' HG21 ' A' ' 29' ' ' ILE . 8.4 m -83.95 150.71 59.25 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 115.981 -0.554 . . . . 2.1 110.202 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.99 -25.39 3.47 Favored 'Trans proline' 0 N--CA 1.474 0.378 0 C-N-CA 121.805 1.67 . . . . 2.27 112.772 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -126.24 145.0 50.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.963 -0.562 . . . . 3.28 110.506 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' HG2' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -93.03 92.23 7.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.735 -0.666 . . . . 3.31 110.214 179.813 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.02 -177.26 3.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.885 -0.598 . . . . 1.22 110.635 -179.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 40' ' ' ILE . 62.0 t -119.74 156.54 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 1.14 110.192 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 29' ' ' ILE . 36.6 mt -132.85 129.92 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.227 -0.897 . . . . 1.73 109.386 179.177 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.668 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.1 m-85 -106.21 148.01 28.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.39 0.614 . . . . 1.49 111.141 -179.069 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -118.8 124.98 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.328 -0.851 . . . . 2.95 109.676 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.3 p -89.92 -174.04 4.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.555 -0.748 . . . . 1.89 110.13 -179.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -97.38 29.94 3.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.209 -0.45 . . . . 3.19 110.739 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -124.67 20.96 8.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.111 -0.495 . . . . 2.68 110.926 179.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.74 37.55 15.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.005 0.431 . . . . 2.57 110.81 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -138.13 139.77 39.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.222 0.534 . . . . 3.49 110.527 179.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.01 151.05 23.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.655 -0.702 . . . . 2.28 110.445 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 40' ' ' ILE . 53.6 mt -134.38 156.86 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.839 -0.619 . . . . 2.11 110.221 179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.473 ' N ' HG22 ' A' ' 49' ' ' ILE . 64.0 m -96.2 154.3 17.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.563 -0.744 . . . . 1.82 110.564 -179.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 58' ' ' VAL . . . -159.07 156.77 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.259 0.552 . . . . 1.23 111.377 -179.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.86 ' HB3' HD22 ' A' ' 13' ' ' LEU . 2.0 p30 -101.46 150.17 37.0 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.543 -0.753 . . . . 2.22 110.23 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -80.28 4.11 7.09 Favored 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 121.646 1.564 . . . . 1.21 113.405 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.51 17.83 20.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.741 -0.384 . . . . 3.39 111.486 -179.84 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -100.35 155.49 17.77 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 120.477 -0.489 . . . . 2.31 110.347 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -73.02 -41.61 64.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.765 -0.652 . . . . 3.69 110.834 -179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CE2' HG23 ' A' ' 58' ' ' VAL . 61.5 p-90 -76.28 -29.07 57.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 1.33 110.657 -179.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG11 ' O ' ' A' ' 52' ' ' ASP . 67.1 t -75.33 -41.39 43.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.158 -0.682 . . . . 0.97 109.158 178.789 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -61.61 -46.74 88.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.56 -0.746 . . . . 2.67 109.912 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -66.53 -35.79 81.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.562 -0.745 . . . . 1.87 109.4 178.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 1.5 m -63.97 -50.85 66.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.35 -0.841 . . . . 1.05 109.918 179.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.426 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 2.2 ttp -62.21 -46.96 86.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.715 -0.675 . . . . 1.92 110.331 179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -64.05 -34.73 78.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.411 0.624 . . . . 2.73 109.59 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.855 ' CD2' HD22 ' A' ' 20' ' ' LEU . 34.7 t80 -62.44 -53.51 53.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.339 -0.846 . . . . 1.59 109.851 179.593 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.609 HD13 ' CD1' ' A' ' 26' ' ' TYR . 50.3 mt -66.42 -41.7 88.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.76 -0.654 . . . . 1.67 110.006 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -62.21 -32.24 72.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.293 -0.867 . . . . 1.95 110.201 179.419 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -77.2 -47.83 19.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.889 -0.596 . . . . 3.11 110.488 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.503 ' HD2' HD23 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -91.4 22.31 4.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.643 -0.708 . . . . 4.18 111.649 -179.865 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 m -57.53 110.59 2.59 Favored Pre-proline 0 CA--C 1.538 0.512 0 C-N-CA 121.037 -0.265 . . . . 2.77 110.698 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -82.44 173.98 10.19 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 121.601 1.534 . . . . 4.16 112.621 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.422 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -86.07 -51.88 0.47 Allowed Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.88 -0.6 . . . . 5.4 110.615 -179.945 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.2 Cg_endo -81.95 125.64 4.82 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 121.674 1.582 . . . . 7.87 112.609 -179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 tttp 60.29 85.25 0.18 Allowed Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 115.818 -0.628 . . . . 11.77 110.494 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.475 0.407 0 C-N-CA 121.878 1.719 . . . . 11.1 112.593 179.961 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.542 -1.423 . . . . 13.64 109.542 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.22 -41.86 0.11 Allowed 'Trans proline' 0 N--CA 1.474 0.331 0 C-N-CA 121.867 1.711 . . . . 12.69 112.639 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.84 138.95 40.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.853 -0.612 . . . . 10.41 110.464 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.597 ' O ' HG23 ' A' ' 5' ' ' VAL . 6.9 t -64.71 -52.14 58.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 8.23 110.351 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 4' ' ' SER . 4.4 t -155.41 -66.87 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 115.942 -0.572 . . . . 6.25 109.953 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.526 ' HD3' ' HB ' ' A' ' 5' ' ' VAL . 37.6 Cg_endo -72.28 -80.78 0.01 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 121.055 1.17 . . . . 5.11 112.733 179.319 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -165.71 -53.65 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 4.67 110.353 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -69.4 -162.44 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.724 -0.671 . . . . 3.87 110.644 -179.471 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.1 m -79.23 165.21 23.5 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.003 0.43 . . . . 2.4 110.412 -179.57 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.0 m -59.04 113.37 2.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.923 -0.58 . . . . 2.06 110.83 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -112.72 -36.28 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.734 -0.666 . . . . 2.43 110.403 179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -92.15 94.8 9.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.831 -0.622 . . . . 3.12 110.309 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.551 HD13 ' CG ' ' A' ' 52' ' ' ASP . 31.0 mt -63.42 140.33 58.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 1.94 110.402 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.35 143.38 35.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 1.66 110.425 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -107.01 -31.85 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.765 -0.652 . . . . 2.95 110.406 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -70.26 121.03 16.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.869 -0.605 . . . . 4.27 110.628 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' A' ' 57' ' ' TRP . 1.6 mtpt -58.32 124.42 19.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.72 -0.673 . . . . 3.18 110.45 179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.4 mt -89.81 139.73 27.75 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.766 -0.652 . . . . 1.44 109.961 179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -79.71 157.06 24.59 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 121.458 1.438 . . . . 1.63 112.924 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' CD2' ' A' ' 64' ' ' TYR . 31.5 mt -80.88 -43.91 19.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.194 -0.912 . . . . 1.43 111.187 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -58.28 -28.94 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.795 -0.639 . . . . 2.31 111.239 -179.291 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -91.32 -12.35 35.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 4.07 111.517 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 42' ' ' LYS . 6.2 mt -72.59 145.12 47.59 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.344 0.592 . . . . 1.58 111.015 -179.461 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -116.57 -40.81 3.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.359 -0.837 . . . . 3.03 110.094 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.03 175.53 2.75 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.717 -0.674 . . . . 2.07 109.809 179.841 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -143.75 156.16 44.42 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 120.353 -0.539 . . . . 1.74 110.917 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.682 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 tpm_? -130.91 116.24 17.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.564 -0.744 . . . . 3.6 110.021 179.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 15.7 ttp180 -88.34 143.94 26.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.398 0.618 . . . . 2.51 110.782 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.567 ' CG1' HD11 ' A' ' 40' ' ' ILE . 1.8 mt -105.89 -153.81 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.182 -0.917 . . . . 1.7 108.614 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.561 HG23 ' C ' ' A' ' 29' ' ' ILE . 1.5 p 78.14 35.44 0.26 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.274 0.559 . . . . 2.31 110.099 -179.54 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -109.97 -171.23 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 3.47 110.192 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.44 63.25 3.98 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.686 -0.965 . . . . 2.68 110.686 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -165.33 -67.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 5.35 110.588 -179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.461 ' HB2' HG22 ' A' ' 29' ' ' ILE . 2.1 m -66.2 152.27 94.36 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.682 -0.69 . . . . 2.1 110.432 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.17 -57.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 121.942 1.762 . . . . 2.27 112.716 -179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -81.88 -177.96 6.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.7 -0.682 . . . . 3.28 110.444 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CB ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -122.08 136.94 54.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.743 -0.662 . . . . 3.31 110.455 -179.918 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -179.58 -173.42 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.883 -0.599 . . . . 1.22 110.615 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 40' ' ' ILE . 57.7 t -134.33 159.59 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.639 -0.71 . . . . 1.14 109.923 179.679 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 27' ' ' ARG . 3.8 mp -127.12 136.49 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 1.73 109.849 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -116.87 149.8 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.297 0.57 . . . . 1.49 111.001 -179.298 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.786 ' O ' HD23 ' A' ' 23' ' ' LEU . 27.4 ttpt -123.81 141.16 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.394 -0.821 . . . . 2.95 109.945 179.433 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 34.2 p -104.32 -166.15 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.481 -0.782 . . . . 1.89 110.103 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -97.5 29.42 3.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.851 0.358 . . . . 3.19 110.829 179.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.46 19.81 8.05 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.162 -0.472 . . . . 2.68 110.966 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.5 37.42 19.7 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.219 0.533 . . . . 2.57 110.609 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -130.49 147.39 52.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.764 -0.653 . . . . 3.49 110.468 179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -115.93 149.23 39.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 2.28 110.414 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 49' ' ' ILE . 3.0 mp -134.0 162.39 39.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.78 -0.646 . . . . 2.11 110.017 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 49' ' ' ILE . 97.1 m -98.39 144.26 27.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.6 -0.727 . . . . 1.82 110.167 179.751 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HB1' HG22 ' A' ' 58' ' ' VAL . . . -146.05 149.44 34.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.806 -179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.678 ' O ' HG11 ' A' ' 58' ' ' VAL . 1.8 t0 -95.64 147.52 33.13 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 115.697 -0.683 . . . . 2.22 109.773 179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -80.87 6.4 5.55 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 121.615 1.544 . . . . 1.21 113.709 -179.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -110.19 19.4 18.95 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.703 -0.399 . . . . 3.39 111.135 179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.6 160.92 13.96 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.06 0.457 . . . . 2.31 110.415 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -80.41 -32.61 37.43 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 3.69 110.784 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.517 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -85.51 -26.5 26.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.504 -0.478 . . . . 1.33 110.488 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 52' ' ' ASP . 88.9 t -74.3 -43.98 49.42 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.097 0 N-CA-C 109.197 -0.668 . . . . 0.97 109.197 178.771 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -64.88 -40.56 95.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 2.67 109.553 179.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -33.92 69.05 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.93 -0.767 . . . . 1.87 108.93 178.311 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 2.2 m -66.17 -54.74 21.69 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.285 -0.87 . . . . 1.05 110.488 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.25 -33.88 75.46 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.433 -0.507 . . . . 1.92 110.136 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.465 0.65 . . . . 2.73 109.387 178.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.778 ' CD2' HD22 ' A' ' 20' ' ' LEU . 33.1 t80 -60.92 -50.55 72.95 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.16 -0.927 . . . . 1.59 110.032 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 65' ' ' LEU . 75.5 mt -65.74 -41.59 91.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.67 110.534 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.6 -28.64 67.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.454 -0.793 . . . . 1.95 110.348 179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -74.56 -46.75 36.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.146 -0.479 . . . . 3.11 111.123 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -60.33 -20.24 58.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 4.18 111.225 -179.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.1 m -57.01 151.36 34.43 Favored Pre-proline 0 CA--C 1.536 0.427 0 C-N-CA 121.005 -0.278 . . . . 2.77 110.798 -179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.11 -17.67 7.86 Favored 'Trans proline' 0 N--CA 1.475 0.434 0 C-N-CA 121.936 1.757 . . . . 4.16 113.141 -179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -113.38 89.56 15.17 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 116.416 -0.356 . . . . 5.4 110.576 -179.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.71 87.71 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 121.799 1.666 . . . . 7.87 112.63 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.0 pttt 41.14 62.06 6.98 Favored Pre-proline 0 N--CA 1.476 0.844 0 CA-C-N 115.653 -0.703 . . . . 11.77 112.081 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo . . . . . 0 C--O 1.22 -0.407 0 C-N-CA 121.844 1.696 . . . . 11.1 112.523 179.897 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.519 -1.433 . . . . 13.64 109.519 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -81.72 -60.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.475 0.384 0 C-N-CA 121.832 1.688 . . . . 12.69 112.722 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.32 163.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.921 -0.581 . . . . 10.41 110.521 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.5 p -63.28 173.74 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 8.23 110.516 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.6 t -78.88 139.64 57.78 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 115.921 -0.581 . . . . 6.25 110.069 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.49 120.95 3.29 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 121.703 1.602 . . . . 5.11 112.676 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.59 77.44 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 4.67 110.244 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.7 -177.98 6.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.787 -0.642 . . . . 3.87 110.384 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 38.7 m -104.99 136.04 45.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.796 -0.638 . . . . 2.4 110.162 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.71 103.62 14.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.578 . . . . 2.06 110.434 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.72 -32.96 11.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.774 -0.648 . . . . 2.43 110.417 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -89.17 80.67 6.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.761 -0.654 . . . . 3.12 110.374 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD13 ' HB3' ' A' ' 52' ' ' ASP . 22.9 mt -65.52 140.36 58.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.715 -0.675 . . . . 1.94 110.408 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB3' ' CH2' ' A' ' 57' ' ' TRP . . . -68.68 136.39 52.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.824 -0.626 . . . . 1.66 110.434 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.38 -33.82 9.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.802 -0.635 . . . . 2.95 110.403 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -79.17 131.13 36.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.76 -0.655 . . . . 4.27 110.312 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 57' ' ' TRP . 19.7 mtmt -63.83 125.55 24.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.883 -0.598 . . . . 3.18 110.535 -179.768 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.628 HD12 ' HZ3' ' A' ' 57' ' ' TRP . 61.3 mt -89.88 139.87 27.66 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.625 -0.716 . . . . 1.44 109.866 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.5 Cg_endo -77.02 157.57 34.32 Favored 'Trans proline' 0 N--CA 1.475 0.439 0 C-N-CA 121.421 1.414 . . . . 1.63 112.988 -179.788 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.61 HD22 ' CD2' ' A' ' 64' ' ' TYR . 50.6 mt -80.46 -41.45 24.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.251 -0.886 . . . . 1.43 111.089 -179.374 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -57.87 -30.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 2.31 110.957 -179.574 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -89.18 -14.39 36.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 4.07 111.274 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 20' ' ' LEU . 8.4 mt -74.01 145.92 44.19 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.267 0.556 . . . . 1.58 111.122 -179.535 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -117.05 -39.71 3.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.419 -0.81 . . . . 3.03 110.382 179.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.8 p -172.46 -170.96 0.76 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 2.07 110.484 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.706 ' CD1' HD13 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -153.97 147.5 25.09 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 115.948 -0.569 . . . . 1.74 110.743 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -130.9 98.88 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.466 -0.788 . . . . 3.6 110.39 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -63.93 148.64 49.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.849 -0.614 . . . . 2.51 110.481 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.604 HD11 ' CG1' ' A' ' 40' ' ' ILE . 43.4 mt -114.61 135.44 54.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.556 -0.747 . . . . 1.7 110.16 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -178.12 38.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.888 -0.596 . . . . 2.31 110.365 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.0 t -61.28 -31.84 71.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 3.47 110.651 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.47 -28.46 7.84 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.988 -0.845 . . . . 2.68 110.988 -179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -69.75 -32.45 70.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.007 0.432 . . . . 5.35 110.581 -179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 76.6 m -69.45 154.06 95.22 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.901 -0.59 . . . . 2.1 110.394 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.97 -27.25 2.56 Favored 'Trans proline' 0 N--CA 1.476 0.447 0 C-N-CA 121.846 1.697 . . . . 2.27 112.66 -179.898 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.46 130.69 26.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.929 -0.578 . . . . 3.28 110.621 -179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.24 154.54 27.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.747 -0.661 . . . . 3.31 110.308 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.49 -178.06 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.572 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 40' ' ' ILE . 48.9 t -135.92 158.11 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.704 -0.68 . . . . 1.14 110.33 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.604 ' CG1' HD11 ' A' ' 29' ' ' ILE . 46.4 mt -126.71 129.26 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.324 -0.853 . . . . 1.73 109.631 179.113 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 26' ' ' TYR . 14.7 m-30 -112.52 147.07 37.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.439 0.637 . . . . 1.49 111.019 -179.456 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -122.09 138.1 54.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.194 -0.912 . . . . 2.95 109.358 178.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 p -98.46 -165.37 1.24 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.39 -0.823 . . . . 1.89 109.891 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.85 29.12 3.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.924 0.393 . . . . 3.19 110.723 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mt -122.31 19.86 10.56 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.106 -0.497 . . . . 2.68 111.001 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.39 38.14 19.64 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.115 0.484 . . . . 2.57 110.681 179.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -135.7 147.51 48.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.999 -0.546 . . . . 3.49 110.444 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.26 154.04 28.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.619 -0.719 . . . . 2.28 110.29 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 50' ' ' CYS . 55.5 mt -141.72 159.18 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 2.11 110.306 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' ' 49' ' ' ILE . 85.7 m -90.24 144.58 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.695 -0.684 . . . . 1.82 110.086 179.695 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -146.86 137.79 23.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.23 110.763 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.704 ' HB3' HD13 ' A' ' 13' ' ' LEU . 2.6 p30 -90.73 151.05 43.35 Favored Pre-proline 0 CA--C 1.532 0.272 0 CA-C-N 115.655 -0.702 . . . . 2.22 110.107 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.41 5.87 5.99 Favored 'Trans proline' 0 CA--C 1.534 0.486 0 C-N-CA 121.694 1.596 . . . . 1.21 113.422 -179.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -110.17 18.99 19.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 120.582 -0.447 . . . . 3.39 111.259 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.3 mmtm -100.59 152.96 19.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.034 0.445 . . . . 2.31 110.261 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -71.54 -42.87 67.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.897 -0.592 . . . . 3.69 110.56 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.628 ' HZ3' HD12 ' A' ' 18' ' ' ILE . 64.3 p-90 -76.02 -26.4 56.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.909 -0.587 . . . . 1.33 110.558 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 52' ' ' ASP . 57.6 t -79.5 -40.41 21.46 Favored 'Isoleucine or valine' 0 C--O 1.23 0.044 0 N-CA-C 109.378 -0.601 . . . . 0.97 109.378 178.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -62.94 -40.92 99.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.407 0.623 . . . . 2.67 109.665 179.558 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.72 -32.89 68.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 1.87 109.354 178.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.441 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 2.0 m -67.47 -49.86 61.67 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.529 -0.76 . . . . 1.05 110.53 179.628 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.7 ptm -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.1 -0.5 . . . . 1.92 110.111 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -71.6 -37.93 70.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.452 0.644 . . . . 2.73 109.404 179.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.61 ' CD2' HD22 ' A' ' 20' ' ' LEU . 21.9 t80 -63.44 -48.12 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.125 -0.943 . . . . 1.59 109.547 179.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' CD1' ' A' ' 26' ' ' TYR . 98.2 mt -66.54 -44.1 83.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.612 -0.722 . . . . 1.67 110.116 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.98 -33.51 75.55 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.495 -0.775 . . . . 1.95 109.988 179.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -61.85 -26.61 68.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.739 -0.664 . . . . 3.11 110.765 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -55.32 -30.36 60.07 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.01 0.433 . . . . 4.18 110.98 -179.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -77.11 165.1 54.71 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 115.947 -0.57 . . . . 2.77 110.398 179.862 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -81.79 97.63 0.94 Allowed 'Trans proline' 0 N--CA 1.474 0.381 0 C-N-CA 121.937 1.758 . . . . 4.16 112.564 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -160.93 87.35 1.72 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 5.4 110.457 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -82.24 106.0 1.52 Allowed 'Trans proline' 0 N--CA 1.474 0.364 0 C-N-CA 121.927 1.752 . . . . 7.87 112.601 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -109.84 159.94 29.86 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 115.865 -0.607 . . . . 11.77 110.433 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 C--O 1.221 -0.351 0 C-N-CA 121.833 1.689 . . . . 11.1 112.655 179.968 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.542 -1.423 . . . . 13.64 109.542 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -82.17 -55.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.476 0.442 0 C-N-CA 121.835 1.69 . . . . 12.69 112.557 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -170.32 104.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.866 -0.606 . . . . 10.41 110.397 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -126.83 84.31 2.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.797 -0.638 . . . . 8.23 110.405 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 5' ' ' VAL . 10.1 m -113.12 89.22 13.66 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.81 -0.632 . . . . 6.25 110.515 -179.792 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -81.9 79.68 3.08 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 121.902 1.735 . . . . 5.11 112.514 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.33 32.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.85 -0.614 . . . . 4.67 110.489 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 9' ' ' CYS . 24.2 m -62.03 154.37 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.84 -0.618 . . . . 3.87 110.363 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 29' ' ' ILE . 1.1 m -93.0 -79.07 0.41 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.838 -0.619 . . . . 2.4 110.346 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 14.8 t -179.12 141.63 0.18 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.101 -0.499 . . . . 2.06 110.12 179.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 10' ' ' CYS . 33.7 m-85 -137.91 36.29 2.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.906 -0.588 . . . . 2.43 110.242 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -154.2 62.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.364 -0.835 . . . . 3.12 109.826 179.69 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 52' ' ' ASP . 42.3 mt -58.51 144.36 42.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.472 -0.785 . . . . 1.94 110.904 -179.692 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.83 142.75 54.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.699 -0.682 . . . . 1.66 110.579 -179.871 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -105.05 -35.99 7.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 2.95 110.272 179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -82.48 124.35 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.732 -0.667 . . . . 4.27 110.281 179.814 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -58.83 130.86 48.98 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.857 -0.61 . . . . 3.18 110.876 -179.688 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 63.6 mt -89.81 139.92 27.78 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.634 -0.712 . . . . 1.44 109.825 179.884 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 38.0 Cg_endo -77.66 159.11 31.91 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 121.343 1.362 . . . . 1.63 112.979 -179.697 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.857 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.3 mt -80.39 -39.25 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.398 -0.819 . . . . 1.43 110.997 -179.515 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -59.05 -30.97 68.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 2.31 110.898 -179.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -92.14 -11.38 35.78 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.888 -0.597 . . . . 4.07 111.404 179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 41' ' ' PHE . 5.0 mt -77.73 146.17 36.1 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.411 0.624 . . . . 1.58 111.222 -179.605 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -40.35 3.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.191 -0.913 . . . . 3.03 110.064 179.156 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -177.74 178.38 1.0 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.768 -0.651 . . . . 2.07 109.792 179.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 62' ' ' MET . 7.8 p90 -140.61 160.47 39.94 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.461 -0.496 . . . . 1.74 110.632 179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -139.52 101.53 4.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.835 -0.621 . . . . 3.6 110.443 -179.896 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -70.81 149.68 46.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.822 -0.626 . . . . 2.51 110.195 179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 40' ' ' ILE . 44.8 mt -112.02 155.49 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.748 -0.66 . . . . 1.7 110.373 -179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.437 ' N ' HG22 ' A' ' 29' ' ' ILE . 4.5 t -175.5 41.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.813 -0.631 . . . . 2.31 110.213 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.56 164.94 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.691 -0.686 . . . . 3.47 110.691 -179.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.6 -29.51 29.5 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.964 -0.854 . . . . 2.68 110.964 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -99.08 30.02 3.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.914 0.388 . . . . 5.35 110.584 -179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.86 148.36 35.72 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.106 -0.497 . . . . 2.1 110.251 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.74 -32.88 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 121.836 1.691 . . . . 2.27 112.649 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -149.95 146.23 26.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.781 -0.645 . . . . 3.28 110.472 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -76.72 166.65 23.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.746 -0.661 . . . . 3.31 110.236 179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -177.71 -177.84 0.68 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 1.22 110.603 179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.4 t -134.03 158.97 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.759 -0.655 . . . . 1.14 110.399 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.921 HD11 HD11 ' A' ' 29' ' ' ILE . 43.8 mt -133.99 130.7 55.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.427 -0.806 . . . . 1.73 109.957 179.561 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.704 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.3 m-85 -109.02 154.14 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.27 0.557 . . . . 1.49 111.018 -179.432 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -132.47 128.43 37.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.492 -0.777 . . . . 2.95 109.866 179.29 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.7 p -89.73 -166.61 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 1.89 109.995 -179.72 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -97.52 29.19 3.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 3.19 110.72 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.55 20.82 10.28 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.238 -0.437 . . . . 2.68 110.967 179.852 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.68 36.75 19.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.14 0.495 . . . . 2.57 110.56 179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.1 140.95 49.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.928 -0.578 . . . . 3.49 110.52 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -114.48 149.05 36.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.777 -0.647 . . . . 2.28 110.25 179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 40' ' ' ILE . 56.9 mt -137.25 158.77 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.857 -0.61 . . . . 2.11 110.329 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.485 ' N ' HG22 ' A' ' 49' ' ' ILE . 1.6 m -90.56 154.48 19.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.734 -0.666 . . . . 1.82 110.268 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -155.81 146.0 21.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.23 110.527 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.691 ' O ' HG11 ' A' ' 58' ' ' VAL . 2.7 t0 -89.85 144.12 31.14 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.815 -0.63 . . . . 2.22 109.83 179.698 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -79.19 -0.85 11.09 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 121.584 1.523 . . . . 1.21 113.544 -179.627 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -110.3 24.5 12.91 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 120.654 -0.418 . . . . 3.39 110.98 179.903 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 176.04 5.49 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.064 0.459 . . . . 2.31 110.431 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -88.16 -53.08 4.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 3.69 110.851 -179.812 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CZ3' HG22 ' A' ' 58' ' ' VAL . 68.1 p-90 -69.48 -27.84 65.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.972 -0.558 . . . . 1.33 110.186 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.704 HG13 ' HE2' ' A' ' 41' ' ' PHE . 47.8 t -73.99 -38.81 50.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 109.122 -0.695 . . . . 0.97 109.122 178.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -65.16 -47.53 76.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.608 -0.724 . . . . 2.67 109.356 179.61 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.76 -35.25 79.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.404 -0.816 . . . . 1.87 109.315 178.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 m -64.89 -51.99 58.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.363 -0.835 . . . . 1.05 110.025 179.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 4.0 ttp -62.95 -43.91 97.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.739 -0.664 . . . . 1.92 110.094 179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -65.1 -35.77 82.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.339 0.59 . . . . 2.73 109.548 179.245 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.857 ' CD2' HD22 ' A' ' 20' ' ' LEU . 30.5 t80 -62.15 -54.68 37.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.282 -0.872 . . . . 1.59 109.832 179.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD23 ' HD2' ' A' ' 68' ' ' LYS . 83.6 mt -67.07 -41.24 86.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.701 -0.681 . . . . 1.67 109.916 179.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.64 -29.55 70.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.291 -0.868 . . . . 1.95 110.132 179.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -90.12 9.58 27.7 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.038 -0.528 . . . . 3.11 111.709 -179.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.598 ' HD2' HD23 ' A' ' 65' ' ' LEU . 22.3 mtpp -72.67 -71.0 0.32 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.171 0.51 . . . . 4.18 110.302 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.5 OUTLIER -91.12 -54.71 0.27 Allowed Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 115.663 -0.698 . . . . 2.77 110.785 -179.936 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HD3' ' CB ' ' A' ' 69' ' ' SER . 40.9 Cg_endo -84.37 136.34 6.54 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 121.573 1.515 . . . . 4.16 112.573 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.516 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 2.8 p -85.22 -39.14 0.62 Allowed Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.014 -0.539 . . . . 5.4 111.966 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 71' ' ' THR . 40.9 Cg_endo -84.24 -175.28 2.12 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 121.223 1.282 . . . . 7.87 112.471 -179.763 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.43 72.23 6.15 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 115.848 -0.614 . . . . 11.77 110.367 179.916 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--O 1.22 -0.384 0 C-N-CA 121.902 1.735 . . . . 11.1 112.6 -179.973 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.559 -1.417 . . . . 13.64 109.559 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -82.04 -43.96 0.09 OUTLIER 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 121.824 1.683 . . . . 12.69 112.637 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.7 -46.59 89.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.883 -0.598 . . . . 10.41 110.518 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.4 p -115.19 117.86 31.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.57 . . . . 8.23 110.512 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.4 t -114.85 85.44 11.75 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.887 -0.597 . . . . 6.25 110.319 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -81.74 -29.32 1.79 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 121.825 1.684 . . . . 5.11 112.519 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.1 -176.96 6.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.804 -0.635 . . . . 4.67 110.397 179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.739 HG23 ' SG ' ' A' ' 34' ' ' CYS . 2.9 t -107.31 -27.79 10.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 3.87 110.759 -179.826 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -92.36 175.7 6.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.065 0.46 . . . . 2.4 110.38 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -104.99 135.94 45.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.871 -0.604 . . . . 2.06 110.568 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -109.85 -32.69 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.773 -0.648 . . . . 2.43 110.335 179.813 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -83.29 83.2 7.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.896 -0.593 . . . . 3.12 110.128 179.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' A' ' 52' ' ' ASP . 31.5 mt -66.58 142.42 57.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.726 -0.67 . . . . 1.94 110.518 -179.748 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 50' ' ' CYS . . . -61.31 157.78 15.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.754 -0.657 . . . . 1.66 110.589 -179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -117.1 -47.93 2.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.865 -0.607 . . . . 2.95 110.302 179.903 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.3 mtm180 -73.58 122.22 21.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.636 -0.711 . . . . 4.27 110.173 179.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -58.85 134.38 56.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.857 -0.611 . . . . 3.18 110.761 -179.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 19' ' ' PRO . 61.7 mt -89.94 139.9 27.57 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 115.589 -0.732 . . . . 1.44 109.993 179.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 18' ' ' ILE . 37.9 Cg_endo -77.91 159.14 31.03 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.439 1.426 . . . . 1.63 112.823 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.84 HD22 ' CD2' ' A' ' 64' ' ' TYR . 27.4 mt -80.55 -42.39 22.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.437 -0.801 . . . . 1.43 111.126 -179.368 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -58.47 -29.98 66.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 2.31 111.071 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -92.12 -12.23 33.52 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.999 -0.546 . . . . 4.07 111.366 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.1 146.04 43.9 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.395 0.617 . . . . 1.58 111.135 -179.525 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.47 -41.86 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 3.03 110.195 179.433 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.7 t 179.84 156.04 0.6 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.811 -0.631 . . . . 2.07 109.892 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 12.4 p90 -118.29 158.71 24.68 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.062 0.458 . . . . 1.74 110.711 -179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -132.99 107.44 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 3.6 110.314 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' HG3' HG22 ' A' ' 39' ' ' VAL . 59.0 ttp85 -87.49 151.22 23.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.866 -0.606 . . . . 2.51 110.549 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -113.61 152.11 15.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.671 -0.695 . . . . 1.7 110.235 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 30' ' ' THR . 7.3 m -161.95 31.75 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.786 -0.643 . . . . 2.31 110.472 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 t -68.15 150.75 47.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 3.47 110.52 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.16 -32.27 63.14 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.737 -0.945 . . . . 2.68 110.737 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -31.2 68.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 5.35 110.575 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' HG23 ' A' ' 8' ' ' THR . 1.0 OUTLIER -60.42 147.94 81.33 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.976 -0.556 . . . . 2.1 110.348 -179.832 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -83.16 -29.78 1.09 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 121.763 1.642 . . . . 2.27 112.445 179.799 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -153.78 132.94 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.634 -0.712 . . . . 3.28 110.384 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -65.36 143.43 57.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.882 -0.599 . . . . 3.31 110.608 -179.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.95 -176.94 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.79 -0.641 . . . . 1.22 110.254 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 40' ' ' ILE . 39.1 t -133.41 157.84 42.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.406 0.622 . . . . 1.14 110.693 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 49' ' ' ILE . 54.0 mt -134.55 130.85 53.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.099 -0.955 . . . . 1.73 109.555 179.283 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.662 ' HE2' HG13 ' A' ' 58' ' ' VAL . 42.6 m-85 -107.88 147.52 30.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.407 0.622 . . . . 1.49 111.053 -179.188 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -128.07 127.26 42.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.264 -0.88 . . . . 2.95 109.625 179.548 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.1 p -91.08 -167.31 1.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.744 -0.662 . . . . 1.89 110.018 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.55 28.54 3.72 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.251 -0.431 . . . . 3.19 110.701 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -120.86 21.35 11.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.161 -0.472 . . . . 2.68 110.88 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.64 36.01 19.75 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.126 0.489 . . . . 2.57 110.572 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -130.78 152.42 50.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 3.49 110.549 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -123.85 153.48 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.845 -0.616 . . . . 2.28 110.249 179.942 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 40' ' ' ILE . 52.9 mt -140.42 159.48 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.904 -0.589 . . . . 2.11 110.395 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.503 ' N ' HG22 ' A' ' 49' ' ' ILE . 93.2 m -94.54 146.76 23.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.727 -0.669 . . . . 1.82 110.345 179.894 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -157.21 141.05 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 1.23 110.647 -179.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.702 ' O ' HG11 ' A' ' 58' ' ' VAL . 0.3 OUTLIER -100.2 159.0 30.96 Favored Pre-proline 0 CA--C 1.534 0.362 0 CA-C-N 115.801 -0.636 . . . . 2.22 109.926 179.782 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -80.61 7.28 4.91 Favored 'Trans proline' 0 N--CA 1.477 0.511 0 C-N-CA 121.849 1.699 . . . . 1.21 113.757 -179.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -102.11 10.43 39.48 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.652 -0.419 . . . . 3.39 111.487 179.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.47 158.05 16.19 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.098 0.475 . . . . 2.31 110.449 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -75.83 -48.17 22.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.856 -0.611 . . . . 3.69 110.732 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CE2' HG23 ' A' ' 58' ' ' VAL . 64.7 p-90 -69.23 -28.17 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.862 -0.608 . . . . 1.33 110.413 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.702 HG11 ' O ' ' A' ' 52' ' ' ASP . 59.4 t -75.46 -38.03 38.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.183 -0.673 . . . . 0.97 109.183 178.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.97 -47.17 78.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 2.67 109.517 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.85 -35.6 80.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.317 -0.856 . . . . 1.87 109.322 178.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -65.59 -50.68 64.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.325 -0.852 . . . . 1.05 110.111 179.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 19.0 ttp -63.17 -41.75 99.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 1.92 110.229 179.767 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -67.41 -40.64 85.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.357 0.598 . . . . 2.73 109.793 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.84 ' CD2' HD22 ' A' ' 20' ' ' LEU . 59.1 t80 -64.98 -49.41 70.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.272 -0.876 . . . . 1.59 109.481 179.455 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 65' ' ' LEU . 78.6 mt -66.55 -40.63 89.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.648 -0.706 . . . . 1.67 109.991 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.13 -34.51 73.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.276 -0.875 . . . . 1.95 110.197 179.471 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -54.76 33.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.694 -0.685 . . . . 3.11 110.328 179.813 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -91.42 21.86 4.29 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.578 -0.737 . . . . 4.18 111.617 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 t -77.39 114.6 42.0 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.813 -0.355 . . . . 2.77 110.434 -179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -82.32 -24.58 3.67 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 121.576 1.517 . . . . 4.16 112.701 179.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.6 167.2 17.02 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 115.992 -0.549 . . . . 5.4 110.239 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -81.57 -166.86 0.43 Allowed 'Trans proline' 0 N--CA 1.476 0.451 0 C-N-CA 121.849 1.7 . . . . 7.87 112.514 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' CB ' ' HD3' ' A' ' 74' ' ' PRO . 14.6 mttt -81.4 -58.08 0.51 Allowed Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.125 -0.489 . . . . 11.77 110.699 -179.656 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 73' ' ' LYS . 40.2 Cg_endo . . . . . 0 N--CA 1.477 0.54 0 C-N-CA 121.546 1.498 . . . . 11.1 112.505 179.719 . . . . . . . . 1 1 . 1 stop_ save_