data_2p0p_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 2p0p _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.2 2.1 3.01 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.905 0.882 . . . . 0.0 111.688 -169.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -136.46 150.2 48.59 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.916 1.286 . . . . 0.0 108.697 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.83 -35.35 57.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.322 -0.847 . . . . 0.0 113.228 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.66 -44.88 80.67 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.686 1.13 . . . . 0.0 109.602 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -65.59 -40.99 93.3 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -71.44 -28.92 64.3 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.716 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.0 98.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.862 0.755 . . . . 0.0 109.22 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.48 -35.68 77.88 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.015 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.78 63.96 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.97 -51.96 64.54 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.392 0.677 . . . . 0.0 110.721 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.838 0.855 . . . . 0.0 110.668 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -56.26 -55.36 34.25 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.457 1.103 . . . . 0.0 110.522 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -36.09 73.5 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.26 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.99 -54.05 44.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.676 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.34 -38.7 84.61 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 118.798 0.726 . . . . 0.0 111.104 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.55 -24.94 67.77 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -93.57 -33.07 13.88 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.054 0.941 . . . . 0.0 111.707 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.21 122.0 12.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.45 49.2 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.905 1.282 . . . . 0.0 109.277 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -64.34 155.71 79.08 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 111.588 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -69.87 154.68 93.66 Favored 'Cis proline' 0 CA--C 1.538 0.691 0 CA-C-N 119.287 0.781 . . . . 0.0 111.162 -9.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -143.76 -167.88 2.7 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.22 1.408 . . . . 0.0 108.579 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 ptm -134.32 166.97 21.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 119.443 1.02 . . . . 0.0 111.958 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.9 -178.27 38.09 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-O 122.093 0.83 . . . . 0.0 111.458 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.82 122.6 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.3 106.79 9.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.27 47.87 1.31 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.027 1.731 . . . . 0.0 108.67 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--O 1.227 -0.125 0 C-N-CA 124.841 1.256 . . . . 0.0 110.977 -168.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.58 106.78 9.2 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -111.91 120.11 40.8 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -69.64 131.97 45.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.96 146.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.163 0.585 . . . . 0.0 110.721 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.95 126.83 41.47 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.34 111.19 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.45 -30.2 61.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.577 0.751 . . . . 0.0 111.063 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.38 -178.3 30.48 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 mtp -63.69 151.15 42.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 110.364 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.75 4.57 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.856 0.862 . . . . 0.0 109.981 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.59 137.35 33.23 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.487 2.125 . . . . 0.0 111.508 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.39 -29.95 64.51 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.667 0.787 . . . . 0.0 111.661 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.412 1.085 . . . . 0.0 112.813 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -85.51 -26.63 26.12 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.704 -0.622 . . . . 0.0 110.641 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -88.55 22.27 2.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.784 1.233 . . . . 0.0 113.05 -170.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.59 -7.71 46.13 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.806 1.243 . . . . 0.0 111.89 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -138.04 -28.96 0.85 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.438 1.095 . . . . 0.0 112.799 -169.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -154.03 149.49 27.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.4 mmt -76.95 84.08 3.49 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -78.29 153.38 31.83 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.24 -0.912 . . . . 0.0 110.878 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.74 145.09 31.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 124.898 1.279 . . . . 0.0 108.796 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.76 140.8 32.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -141.79 143.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.409 0.684 . . . . 0.0 109.974 -171.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.09 136.26 50.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 172.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.65 65.08 6.64 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 pt -58.9 -18.16 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 121.487 -0.758 . . . . 0.0 112.478 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.25 -3.76 88.58 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.889 1.233 . . . . 0.0 113.084 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.6 -97.04 0.14 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 119.194 1.497 . . . . 0.0 111.167 -174.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -60.59 -34.97 75.0 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.588 0.694 . . . . 0.0 112.541 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 60.35 -27.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 130.452 3.501 . . . . 0.0 116.556 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.45 7.53 22.77 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.424 1.49 . . . . 0.0 111.674 -170.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -137.09 164.66 27.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.969 0.908 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.9 147.15 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.569 1.548 . . . . 0.0 108.859 -169.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.76 -173.22 3.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.685 2.394 . . . . 0.0 107.863 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -123.26 147.22 47.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.19 157.52 46.14 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.946 1.298 . . . . 0.0 109.625 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 129.72 37.16 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.756 1.162 . . . . 0.0 109.355 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -54.19 -13.37 0.83 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.209 2.604 . . . . 0.0 114.068 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -124.5 14.62 8.84 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.252 1.421 . . . . 0.0 110.927 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.74 155.64 30.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.618 1.567 . . . . 0.0 109.591 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -124.94 119.11 27.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.8 40.41 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.4 mt -129.7 140.92 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.473 1.109 . . . . 0.0 108.524 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.57 35.87 19.1 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.759 1.624 . . . . 0.0 113.369 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 p -107.43 169.17 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.77 0.828 . . . . 0.0 110.833 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.05 152.26 45.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.911 0.885 . . . . 0.0 110.535 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.06 -42.18 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.147 0.979 . . . . 0.0 112.086 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -73.23 -28.49 62.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.197 0.908 . . . . 0.0 111.005 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -50.81 34.96 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.14 89.17 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.48 -38.94 92.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.463 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.94 95.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 110.519 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.0 -47.08 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.606 0.763 . . . . 0.0 109.1 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.61 89.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.9 -35.98 79.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.965 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -60.69 -47.32 86.79 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.96 0.8 . . . . 0.0 110.156 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.92 -45.5 93.43 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.532 0.333 . . . . 0.0 110.108 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.17 -44.51 95.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.529 0.732 . . . . 0.0 110.574 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -58.63 -48.11 82.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.743 0.701 . . . . 0.0 109.989 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.7 -42.46 97.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.509 0 C-N-CA 124.017 0.927 . . . . 0.0 112.175 176.456 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.119 0.485 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -130.03 -19.63 3.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.931 1.692 . . . . 0.0 110.291 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.16 148.79 43.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.775 1.23 . . . . 0.0 110.157 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -27.23 46.2 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.36 -42.02 79.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.444 1.475 . . . . 0.0 109.458 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.52 -36.47 82.79 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.407 0.683 . . . . 0.0 110.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -44.7 79.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.135 0.574 . . . . 0.0 110.595 171.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.06 87.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.184 0.447 . . . . 0.0 109.878 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.9 mmt -65.17 -39.05 92.37 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.611 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.97 -51.45 59.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 119.499 1.045 . . . . 0.0 111.275 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -54.94 -49.28 71.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.014 0.526 . . . . 0.0 110.862 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.17 -46.58 82.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.195 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.04 -51.34 64.63 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.918 0.781 . . . . 0.0 110.063 -171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -37.41 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.902 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.18 -50.4 68.25 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.823 0.738 . . . . 0.0 109.743 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.3 -41.61 89.42 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.473 0.709 . . . . 0.0 110.891 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.96 -25.71 67.24 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -93.31 -37.74 11.87 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 111.474 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.9 124.11 18.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.316 0.646 . . . . 0.0 109.408 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.69 50.76 1.01 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.638 1.975 . . . . 0.0 108.801 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -70.47 153.91 94.76 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 121.096 -1.002 . . . . 0.0 111.059 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 150.73 87.71 Favored 'Cis proline' 0 CA--C 1.537 0.635 0 CA-C-N 119.305 0.787 . . . . 0.0 110.427 -10.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -138.42 -172.26 3.24 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.908 1.283 . . . . 0.0 108.363 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.8 ptm -130.76 168.76 16.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 119.459 1.027 . . . . 0.0 111.565 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -176.96 39.32 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-O 122.174 0.874 . . . . 0.0 111.74 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -118.14 119.74 35.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -77.17 108.28 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -81.03 49.21 1.2 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.063 1.745 . . . . 0.0 108.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.461 0.092 0 C-N-CA 124.558 1.143 . . . . 0.0 111.45 -168.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -128.63 94.47 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -169.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -98.58 119.73 37.79 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 m -70.03 134.47 48.31 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.26 155.15 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.911 0.484 . . . . 0.0 111.668 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -107.02 116.35 31.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.1 110.97 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.87 -30.66 56.33 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.079 0.552 . . . . 0.0 112.121 -169.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.37 -178.46 34.6 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.219 -1.952 . . . . 0.0 108.219 -174.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.42 149.28 48.75 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.365 -0.491 . . . . 0.0 110.411 173.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.12 171.21 6.94 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.225 1.01 . . . . 0.0 110.426 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.21 148.95 9.44 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.066 2.511 . . . . 0.0 112.736 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.41 -28.56 67.03 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.264 0.626 . . . . 0.0 111.859 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.46 -34.44 74.39 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.261 0.624 . . . . 0.0 111.611 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.67 -47.92 70.98 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.39 15.0 0.5 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -170.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.38 -11.79 60.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.116 0.871 . . . . 0.0 112.04 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.87 -19.61 0.81 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -155.48 151.54 27.84 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -77.57 81.2 4.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.07 149.12 35.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.22 142.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.248 1.019 . . . . 0.0 108.913 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.17 142.66 43.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 p -149.49 139.95 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -169.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.88 138.0 51.58 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.33 1.052 . . . . 0.0 108.851 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.35 66.72 9.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 124.426 1.09 . . . . 0.0 110.957 -170.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.4 pt -58.33 -19.01 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.64 -0.663 . . . . 0.0 112.561 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.43 88.61 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.839 1.209 . . . . 0.0 113.056 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.08 -94.71 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 119.167 1.484 . . . . 0.0 111.06 -174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -60.11 -36.63 77.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 117.758 0.779 . . . . 0.0 112.373 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 59.83 -25.45 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 130.387 3.475 . . . . 0.0 116.411 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -118.37 11.12 12.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.056 1.742 . . . . 0.0 111.11 -172.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.66 164.13 28.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.239 1.016 . . . . 0.0 110.33 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.4 p -135.39 149.62 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.656 1.583 . . . . 0.0 110.067 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.33 -171.35 3.18 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.459 2.303 . . . . 0.0 108.435 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.47 146.36 48.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.32 42.1 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.595 1.158 . . . . 0.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -82.7 125.5 31.3 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.58 -29.38 69.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.574 1.079 . . . . 0.0 111.271 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' ' HE1' ' A' ' 116' ' ' TRP . 2.7 p -61.85 -20.88 64.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.967 1.307 . . . . 0.0 112.998 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -103.78 10.88 36.4 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.093 0.957 . . . . 0.0 111.343 -174.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.94 154.47 22.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.91 1.684 . . . . 0.0 108.941 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -120.95 117.88 28.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.84 139.45 40.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -129.65 143.3 41.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.041 1.337 . . . . 0.0 107.693 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.3 t70 56.61 23.36 7.63 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.672 1.589 . . . . 0.0 113.928 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.8 m -79.28 164.65 3.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.046 0.939 . . . . 0.0 111.65 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.35 157.08 38.71 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.37 169.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.92 -44.54 82.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.529 0.731 . . . . 0.0 111.823 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -73.09 -27.8 61.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.192 0.906 . . . . 0.0 110.927 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 53.6 m -69.35 -49.87 51.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 173.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.05 -46.14 85.85 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.549 0.613 . . . . 0.0 109.778 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.38 -36.48 83.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.215 0.606 . . . . 0.0 111.252 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.42 84.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.239 0.927 . . . . 0.0 110.571 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.25 -43.13 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.68 95.1 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.682 0.793 . . . . 0.0 110.665 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.2 -39.91 82.31 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.6 0.636 . . . . 0.0 111.607 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.415 ' HE1' ' N ' ' A' ' 98' ' ' SER . 2.7 t-105 -58.14 -44.72 87.98 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.226 0.61 . . . . 0.0 110.437 170.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.69 -45.26 93.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.91 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.21 -40.53 97.75 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.251 0.932 . . . . 0.0 111.559 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 119' ' ' TRP . 2.8 t90 -51.73 -65.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 169.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 -31.19 70.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.815 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 124.886 1.274 . . . . 0.0 112.944 175.66 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.8 -2.49 2.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.312 0.645 . . . . 0.0 112.733 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -135.41 148.66 49.41 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.737 1.215 . . . . 0.0 108.62 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -48.89 -38.26 22.08 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.1 -43.35 74.68 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.427 1.012 . . . . 0.0 109.573 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.59 -35.21 75.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.634 0.774 . . . . 0.0 109.94 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -72.34 -30.9 65.18 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.187 -0.945 . . . . 0.0 110.911 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.3 86.12 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.796 0.725 . . . . 0.0 109.637 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.9 -36.76 83.0 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.531 -0.731 . . . . 0.0 111.603 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -53.34 39.48 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.3 0.954 . . . . 0.0 111.141 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -51.62 -54.45 27.68 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.42 0.688 . . . . 0.0 110.606 171.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -54.78 -48.4 72.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.26 0.624 . . . . 0.0 110.88 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.29 -53.3 57.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.63 0.65 . . . . 0.0 110.118 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -35.06 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.49 -176.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.22 -51.53 63.25 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.434 0.561 . . . . 0.0 109.62 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.04 -39.08 84.7 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.493 0.717 . . . . 0.0 110.96 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.43 -26.57 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.9 m -88.78 -40.36 13.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.484 0.713 . . . . 0.0 111.348 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 130.68 47.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 109.695 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.81 20.2 0.47 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.526 1.53 . . . . 0.0 112.591 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -45.7 146.57 1.82 Allowed Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.87 1.668 . . . . 0.0 114.977 -168.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -61.38 151.93 57.43 Favored 'Cis proline' 0 CA--C 1.539 0.759 0 CA-C-N 118.954 0.662 . . . . 0.0 113.19 -10.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -141.79 -171.56 3.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.474 1.51 . . . . 0.0 107.934 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ptm -131.26 167.34 19.37 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.999 1.272 . . . . 0.0 112.415 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.98 -177.25 39.12 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 121.78 0.656 . . . . 0.0 112.05 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.35 120.41 39.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -77.49 108.25 10.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -79.55 53.55 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.583 1.553 . . . . 0.0 109.889 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt . . . . . 0 CA--C 1.523 -0.075 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -171.754 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.05 100.66 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -169.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -105.52 119.72 39.83 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -70.36 132.14 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.84 153.91 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.993 0.517 . . . . 0.0 111.842 -171.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -104.43 125.5 50.69 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 168.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.43 108.78 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.7 -29.01 58.85 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 111.717 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.49 -178.72 33.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.99 149.74 46.71 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.427 -0.454 . . . . 0.0 109.943 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.3 175.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 123.335 0.654 . . . . 0.0 110.212 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.3 143.07 20.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.344 2.696 . . . . 0.0 113.246 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.7 -39.07 64.87 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 125.002 1.321 . . . . 0.0 110.228 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.57 -36.16 82.97 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.229 1.012 . . . . 0.0 111.858 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -72.99 -37.07 67.15 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.77 13.21 1.39 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.29 -5.39 39.23 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.429 1.092 . . . . 0.0 111.745 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -141.0 -22.79 0.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.094 0.958 . . . . 0.0 113.226 -169.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -158.32 157.76 33.07 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.503 1.047 . . . . 0.0 108.942 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -84.88 81.9 8.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.073 0.851 . . . . 0.0 109.061 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.6 149.05 33.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.014 0.526 . . . . 0.0 110.189 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 m -133.84 143.66 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.328 1.051 . . . . 0.0 109.0 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.99 141.26 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.9 138.88 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.96 54.05 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.169 0.988 . . . . 0.0 108.525 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -80.68 67.54 6.59 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.021 1.328 . . . . 0.0 109.73 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.85 -12.08 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 121.051 -1.031 . . . . 0.0 112.855 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.93 -3.84 59.03 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.33 -1.261 . . . . 0.0 113.132 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.01 -6.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.917 0 CA-C-N 119.673 1.737 . . . . 0.0 116.943 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -140.43 -45.51 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.311 2.055 . . . . 0.0 109.298 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 58.47 -26.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.694 3.198 . . . . 0.0 115.524 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.97 6.06 24.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.62 1.568 . . . . 0.0 112.054 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -137.08 162.61 32.88 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.589 0.756 . . . . 0.0 111.102 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.9 t -135.24 150.78 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.642 1.577 . . . . 0.0 109.169 -169.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.76 -170.11 2.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.842 2.457 . . . . 0.0 107.977 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 m -123.41 147.66 46.89 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.82 161.42 37.28 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 124.563 1.145 . . . . 0.0 110.135 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 126.85 31.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 171.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.57 -31.09 65.8 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.288 0.494 . . . . 0.0 110.497 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -54.61 -17.6 3.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.769 2.027 . . . . 0.0 113.883 173.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.77 13.87 16.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.338 1.055 . . . . 0.0 111.846 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -121.86 154.05 26.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 125.427 1.491 . . . . 0.0 109.427 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -119.67 120.6 37.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 170.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.46 139.9 41.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -128.07 144.7 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.929 1.292 . . . . 0.0 108.166 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.86 26.93 12.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 113.5 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m -90.55 164.56 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.091 0.956 . . . . 0.0 111.45 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.39 157.71 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.01 1.324 . . . . 0.0 109.346 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.2 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.118 0.967 . . . . 0.0 112.14 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.41 -36.2 71.25 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.356 0.98 . . . . 0.0 110.923 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.8 m -63.71 -51.11 66.47 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.702 0.801 . . . . 0.0 109.014 173.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.86 -44.95 93.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -63.34 -36.6 84.22 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.402 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.28 90.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.357 0.98 . . . . 0.0 110.252 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.4 -43.09 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.62 96.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.443 0.697 . . . . 0.0 110.383 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.91 -35.43 76.83 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.153 0.433 . . . . 0.0 111.475 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.27 -46.56 89.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.391 0.541 . . . . 0.0 110.176 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.58 -41.84 99.19 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.94 -0.475 . . . . 0.0 110.526 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -62.73 -45.76 91.24 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.302 0.501 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.2 -38.43 79.86 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.917 0.78 . . . . 0.0 111.732 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -50.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 123.463 0.705 . . . . 0.0 112.349 176.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.92 2.12 1.72 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.004 0.922 . . . . 0.0 112.728 -173.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -129.38 145.64 51.37 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.182 1.393 . . . . 0.0 107.827 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -36.14 33.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.47 -43.97 62.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.768 1.167 . . . . 0.0 109.129 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -66.56 -34.68 78.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.226 0.61 . . . . 0.0 109.967 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -73.23 -31.37 64.1 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 121.022 -1.049 . . . . 0.0 111.248 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.46 87.2 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.287 0.949 . . . . 0.0 109.389 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.6 -37.92 85.92 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.756 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.5 -52.8 45.49 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 120.032 1.287 . . . . 0.0 111.37 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -54.47 -48.71 71.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.577 0.751 . . . . 0.0 110.861 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -57.34 -47.76 80.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.157 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -62.28 -52.49 63.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.554 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.6 -36.93 76.65 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.911 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.53 -49.22 69.75 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.484 0.583 . . . . 0.0 109.966 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.2 -38.47 83.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.734 0.814 . . . . 0.0 110.922 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -25.1 64.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -95.59 -36.56 11.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.396 0.678 . . . . 0.0 111.829 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.36 118.18 6.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -83.99 51.93 2.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.567 0.747 . . . . 0.0 109.102 174.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -61.87 158.06 45.7 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 124.68 1.192 . . . . 0.0 111.756 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.83 156.8 89.96 Favored 'Cis proline' 0 C--N 1.35 0.624 0 CA-C-N 119.496 0.856 . . . . 0.0 111.637 -7.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.39 -170.4 3.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.103 1.361 . . . . 0.0 108.759 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.21 170.24 15.29 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 119.373 0.988 . . . . 0.0 111.441 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.02 -177.34 39.73 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-O 122.158 0.866 . . . . 0.0 112.542 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -118.94 118.82 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 169.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.23 109.08 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -78.1 55.76 1.53 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.082 1.353 . . . . 0.0 109.215 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 124.12 0.968 . . . . 0.0 109.849 -169.596 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.69 91.0 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -173.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.33 118.86 33.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -70.53 133.31 46.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.73 156.95 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.407 0.683 . . . . 0.0 111.41 -171.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -107.0 126.37 52.23 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 169.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.61 111.38 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.92 -30.07 55.95 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.336 0.655 . . . . 0.0 111.612 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.47 33.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -63.4 150.25 43.99 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.486 . . . . 0.0 110.182 171.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 170.31 6.63 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 123.911 0.884 . . . . 0.0 110.173 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.72 146.88 14.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.813 2.342 . . . . 0.0 112.263 171.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -58.85 -28.48 66.13 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.128 0.571 . . . . 0.0 111.643 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.48 -34.08 77.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.285 0.634 . . . . 0.0 111.8 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.76 -41.38 65.13 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -75.55 12.74 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -171.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.33 -13.08 61.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.079 0.952 . . . . 0.0 111.781 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.18 -23.63 1.7 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -157.01 151.82 25.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.462 1.028 . . . . 0.0 108.675 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 80.25 4.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.867 0.867 . . . . 0.0 108.713 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.49 152.03 32.26 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.771 0.828 . . . . 0.0 109.998 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.24 144.22 36.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.613 1.165 . . . . 0.0 109.023 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.37 141.11 43.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 169.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.93 136.68 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -169.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.31 133.55 52.9 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.33 73.8 9.34 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.915 0.886 . . . . 0.0 109.883 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.6 pt -62.15 -5.36 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.68 -12.16 48.29 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 118.297 -1.28 . . . . 0.0 112.852 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.06 -11.79 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.618 1.709 . . . . 0.0 116.543 -169.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -135.98 -44.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.867 1.833 . . . . 0.0 110.502 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.8 -25.25 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.48 3.112 . . . . 0.0 115.902 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -117.43 9.93 13.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.039 1.736 . . . . 0.0 111.273 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -133.66 161.19 35.34 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.408 1.083 . . . . 0.0 110.367 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -135.29 148.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.165 1.386 . . . . 0.0 109.664 -168.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.37 -169.54 2.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 128.001 2.52 . . . . 0.0 107.873 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.29 146.88 47.53 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.68 160.46 38.77 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 124.658 1.183 . . . . 0.0 109.986 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 128.87 33.81 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 171.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.46 -33.42 69.73 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.356 0.98 . . . . 0.0 109.965 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -51.3 -18.05 0.87 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.121 2.569 . . . . 0.0 114.48 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -123.42 13.23 9.47 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.899 0.88 . . . . 0.0 112.292 -171.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.13 152.52 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 125.266 1.426 . . . . 0.0 109.342 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -112.73 120.86 42.97 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.57 139.93 37.35 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.0 mt -129.91 143.88 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.14 1.376 . . . . 0.0 107.657 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.34 21.82 7.18 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.738 1.615 . . . . 0.0 113.848 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -77.97 163.62 3.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 124.064 0.946 . . . . 0.0 111.841 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.41 157.23 38.42 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.366 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.4 -44.06 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 111.974 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.41 -29.6 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.266 0.939 . . . . 0.0 110.824 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.8 m -67.59 -50.51 57.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.13 -46.44 85.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.697 0.68 . . . . 0.0 110.086 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -62.94 -37.42 86.99 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.201 0.601 . . . . 0.0 111.078 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.5 93.62 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.182 0.901 . . . . 0.0 110.569 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.65 -45.76 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.54 92.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.096 0.558 . . . . 0.0 110.387 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -37.04 79.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 46.8 t-105 -59.17 -46.94 87.09 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.719 0.407 . . . . 0.0 109.987 170.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.21 -40.99 99.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.286 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -63.56 -44.94 92.67 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.891 0.768 . . . . 0.0 110.599 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -60.34 -38.94 85.33 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.8 -0.563 . . . . 0.0 111.267 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.38 -47.18 83.15 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.754 1.222 . . . . 0.0 112.814 -179.587 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.82 -1.17 1.84 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -133.77 148.9 51.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.797 1.239 . . . . 0.0 108.238 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.28 -37.11 45.53 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.98 -44.19 73.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.926 1.239 . . . . 0.0 109.369 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.07 -36.07 81.21 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.703 0.801 . . . . 0.0 110.056 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.53 -32.04 64.0 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 121.195 -0.941 . . . . 0.0 111.123 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.14 98.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.995 0.816 . . . . 0.0 109.352 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.4 mmt -60.86 -41.27 95.54 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.081 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.1 -52.76 49.39 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 119.617 1.099 . . . . 0.0 111.737 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -53.99 -50.91 65.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.384 0.674 . . . . 0.0 110.852 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.01 -46.08 82.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.205 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -61.24 -50.94 71.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.909 0.777 . . . . 0.0 109.881 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -34.77 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.72 -177.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.02 -52.45 62.86 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.541 1.064 . . . . 0.0 109.621 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.18 -36.35 75.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.915 0.779 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -69.68 -26.43 64.37 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.3 m -98.53 -34.16 10.71 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.867 0.867 . . . . 0.0 112.358 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.83 3.66 1.01 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -169.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 19.36 60.13 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 130.98 3.712 . . . . 0.0 114.17 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.23 156.56 10.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.692 1.197 . . . . 0.0 113.258 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.12 162.91 91.84 Favored 'Cis proline' 0 CA--C 1.537 0.651 0 CA-C-N 118.562 0.522 . . . . 0.0 111.114 -10.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -143.55 -171.61 3.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -136.32 166.13 24.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.634 1.106 . . . . 0.0 112.62 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.86 -177.44 37.42 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.108 0.838 . . . . 0.0 111.357 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.5 122.05 46.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -76.9 108.55 10.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.78 53.82 2.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.705 1.602 . . . . 0.0 108.43 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.465 0.292 0 C-N-CA 125.202 1.401 . . . . 0.0 110.167 -169.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.6 105.1 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -169.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -110.68 120.23 41.74 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -70.02 132.08 45.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 m -140.34 145.67 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.031 0.532 . . . . 0.0 110.923 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.17 131.69 43.67 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.16 114.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.66 -31.21 22.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.847 0.859 . . . . 0.0 112.362 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.03 167.68 29.04 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.4 mtp -71.37 152.41 43.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.443 0.622 . . . . 0.0 109.485 169.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.61 165.76 27.71 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.518 1.127 . . . . 0.0 112.257 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.26 158.7 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.548 3.499 . . . . 0.0 114.935 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.16 -36.62 13.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.155 1.782 . . . . 0.0 112.001 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.48 -24.19 67.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.423 0.689 . . . . 0.0 112.448 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -102.72 -46.04 4.83 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.205 1.002 . . . . 0.0 110.045 -174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.8 p -71.44 -2.43 16.59 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.17 -10.41 59.74 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.417 1.087 . . . . 0.0 112.235 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -26.28 1.16 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -156.62 149.85 24.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.651 1.114 . . . . 0.0 109.868 -174.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.85 75.76 7.78 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.227 1.011 . . . . 0.0 109.336 -172.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.47 153.04 25.83 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.676 0.79 . . . . 0.0 109.841 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.8 m -136.52 145.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 125.402 1.481 . . . . 0.0 108.811 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.32 141.06 40.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.28 141.12 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -169.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.31 135.17 53.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -82.51 66.34 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.438 1.095 . . . . 0.0 110.839 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 pt -59.05 -17.02 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.553 -0.717 . . . . 0.0 112.518 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 -3.89 87.46 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.908 1.242 . . . . 0.0 113.167 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.6 -93.77 0.1 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 119.292 1.546 . . . . 0.0 111.263 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.31 -37.1 76.92 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 117.934 0.867 . . . . 0.0 112.359 -172.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.92 -25.47 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.22 3.408 . . . . 0.0 116.141 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.16 9.94 13.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.004 1.722 . . . . 0.0 111.244 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -134.51 162.75 31.39 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.042 0.937 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.89 145.61 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.879 1.672 . . . . 0.0 109.064 -169.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.75 -172.79 3.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.721 2.408 . . . . 0.0 107.801 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -122.83 143.74 49.66 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.98 152.85 51.37 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.956 1.303 . . . . 0.0 108.89 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 128.84 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.57 -31.67 68.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.309 0.504 . . . . 0.0 110.448 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -51.51 -19.8 1.61 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.916 2.486 . . . . 0.0 114.237 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.35 13.98 14.63 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.322 1.049 . . . . 0.0 111.534 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -119.63 153.21 22.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 125.383 1.473 . . . . 0.0 109.467 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -119.44 118.04 30.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.02 140.54 37.93 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.1 mt -129.23 141.31 46.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 124.176 0.991 . . . . 0.0 108.93 -174.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.5 38.4 22.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.815 1.646 . . . . 0.0 112.782 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.83 164.7 8.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.742 0.817 . . . . 0.0 110.828 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 154.37 40.82 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.882 0.873 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.02 -42.36 76.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.13 0.972 . . . . 0.0 112.154 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.42 -34.65 70.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.434 1.015 . . . . 0.0 110.707 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -63.9 -53.25 53.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 108.8 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -45.38 91.21 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.268 0.627 . . . . 0.0 109.882 -178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.26 -37.34 86.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.271 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.48 95.7 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.451 1.023 . . . . 0.0 110.669 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.54 -44.75 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.92 89.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.061 0.545 . . . . 0.0 110.321 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -68.03 -38.38 82.47 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.845 0.458 . . . . 0.0 111.713 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.14 -45.8 90.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.372 0.533 . . . . 0.0 110.581 170.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.99 -41.56 97.47 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.91 -0.493 . . . . 0.0 110.468 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -64.14 -41.81 97.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.593 0.633 . . . . 0.0 110.582 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -60.6 -40.62 92.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.887 0.767 . . . . 0.0 110.983 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.51 -44.37 97.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 124.448 1.099 . . . . 0.0 111.964 176.448 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.355 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.49 -2.4 2.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.409 1.084 . . . . 0.0 112.16 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.33 147.73 45.9 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.37 1.068 . . . . 0.0 109.434 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -53.41 -36.05 61.08 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 118.193 -0.908 . . . . 0.0 113.228 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.93 -42.95 84.46 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.655 1.116 . . . . 0.0 109.527 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.88 -43.16 93.84 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.384 0.674 . . . . 0.0 109.488 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -69.08 -33.79 74.1 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.149 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.17 90.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.708 0.686 . . . . 0.0 109.8 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.5 mmt -68.41 -37.23 80.12 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.695 0.68 . . . . 0.0 111.694 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.53 -50.67 61.37 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.09 0.859 . . . . 0.0 111.126 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -53.12 -52.27 59.21 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.262 0.625 . . . . 0.0 110.768 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.78 -48.14 75.83 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.238 0.615 . . . . 0.0 111.291 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -62.93 -52.19 64.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.374 0.534 . . . . 0.0 110.209 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -34.67 73.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.569 -0.853 . . . . 0.0 110.42 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.14 -53.61 50.73 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 118.517 0.599 . . . . 0.0 109.74 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.59 0.632 . . . . 0.0 110.929 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.21 -27.33 68.98 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -89.65 -38.77 13.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.897 0.879 . . . . 0.0 111.456 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.03 122.1 11.55 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 123.586 0.754 . . . . 0.0 109.878 -174.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.79 50.64 0.86 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.555 1.942 . . . . 0.0 108.982 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -71.36 153.07 94.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 O-C-N 120.977 -1.077 . . . . 0.0 111.081 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -70.05 150.55 91.07 Favored 'Cis proline' 0 CA--C 1.538 0.714 0 CA-C-N 119.255 0.77 . . . . 0.0 110.844 -10.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -141.17 -168.15 2.55 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.282 1.433 . . . . 0.0 108.351 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptm -132.43 167.17 20.42 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 119.42 1.009 . . . . 0.0 112.033 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.52 -177.84 38.14 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-O 122.145 0.858 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.02 120.69 37.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 171.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.0 110.48 11.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.7 59.31 3.02 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.533 1.533 . . . . 0.0 108.075 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 125.778 1.631 . . . . 0.0 108.703 -172.347 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.12 104.03 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -103.49 117.2 33.91 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -68.22 133.34 48.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.14 146.54 25.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.166 0.587 . . . . 0.0 110.376 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.62 115.89 28.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.67 108.79 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.75 -30.39 51.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 123.216 0.606 . . . . 0.0 111.756 -169.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.34 179.65 34.3 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.199 -1.96 . . . . 0.0 108.199 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.1 mmm -64.04 149.28 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.31 12.26 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.691 0.797 . . . . 0.0 109.09 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.66 138.65 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.797 2.332 . . . . 0.0 111.885 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -58.07 -29.67 65.59 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.812 0.845 . . . . 0.0 112.01 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.66 -31.92 72.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.056 0.943 . . . . 0.0 112.129 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.92 -18.91 42.0 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.883 -0.51 . . . . 0.0 110.826 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -100.21 20.2 15.08 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.093 0.957 . . . . 0.0 112.56 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.08 -0.41 21.76 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 112.516 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -146.18 -24.01 0.44 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -154.83 136.6 14.44 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -173.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.58 128.65 36.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.384 0.993 . . . . 0.0 109.706 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -122.56 153.11 39.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 109.257 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.85 144.77 31.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.231 1.012 . . . . 0.0 108.85 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.53 140.32 39.73 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.4 140.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.44 0.696 . . . . 0.0 109.679 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.28 135.81 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.75 63.56 6.94 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.383 1.073 . . . . 0.0 111.51 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.47 -18.72 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 121.496 -0.752 . . . . 0.0 112.758 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.59 85.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.913 1.245 . . . . 0.0 113.067 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.59 -97.43 0.16 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 119.123 1.461 . . . . 0.0 110.711 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.94 -34.03 74.09 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 117.758 0.779 . . . . 0.0 112.716 -171.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 60.7 -25.47 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.055 3.342 . . . . 0.0 116.093 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -116.0 10.2 15.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.966 1.706 . . . . 0.0 111.278 -172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -135.69 163.49 30.04 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.127 0.971 . . . . 0.0 110.653 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.09 148.05 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 110.234 -168.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -141.71 -172.03 3.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.495 2.318 . . . . 0.0 108.31 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -123.15 147.45 46.81 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.29 154.39 51.33 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.802 1.241 . . . . 0.0 109.709 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -71.76 125.0 26.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 104.786 -2.302 . . . . 0.0 104.786 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.59 -34.25 72.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.084 0.856 . . . . 0.0 109.282 170.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -54.0 -12.16 0.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 129.06 2.944 . . . . 0.0 114.417 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -126.8 15.63 7.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.258 1.023 . . . . 0.0 111.705 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.13 155.47 21.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.554 1.542 . . . . 0.0 109.245 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -121.82 119.01 30.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.15 139.17 38.99 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.6 mt -131.3 144.54 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.481 1.113 . . . . 0.0 108.644 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.25 38.07 23.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.497 1.519 . . . . 0.0 113.08 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.18 168.45 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.846 0.858 . . . . 0.0 110.565 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.49 151.49 44.23 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.711 0.804 . . . . 0.0 110.492 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -55.52 -42.27 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.179 0.992 . . . . 0.0 111.898 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.91 -27.61 61.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.106 0.866 . . . . 0.0 111.2 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 96.5 m -71.54 -49.22 42.86 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -46.39 88.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.11 -38.33 90.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.81 97.86 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.666 1.121 . . . . 0.0 110.45 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.36 -46.11 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.485 0.714 . . . . 0.0 109.093 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.52 91.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.119 0.568 . . . . 0.0 110.346 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.76 -35.51 77.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 119.256 -0.402 . . . . 0.0 112.024 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -60.33 -47.42 86.1 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.583 0.629 . . . . 0.0 110.139 170.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.44 -45.05 95.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.692 0.397 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -62.22 -45.58 92.71 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.623 0.769 . . . . 0.0 110.758 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -57.85 -47.27 83.18 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.959 0.504 . . . . 0.0 110.559 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.23 -47.68 84.95 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.008 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.87 -7.43 2.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 0.0 111.106 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.34 152.39 41.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.057 1.343 . . . . 0.0 108.941 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -31.48 30.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.36 -42.61 68.24 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.219 0.918 . . . . 0.0 109.103 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -68.97 -35.19 76.44 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -59.17 -41.41 88.34 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.565 -0.709 . . . . 0.0 110.444 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.8 92.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.021 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mmt -61.82 -42.86 99.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.921 0.782 . . . . 0.0 111.215 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.6 63.3 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 118.963 0.801 . . . . 0.0 111.259 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -57.09 -49.06 77.04 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.84 0.456 . . . . 0.0 110.889 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.4 -47.75 82.87 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.044 0.538 . . . . 0.0 110.352 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -55.84 29.94 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.097 0.959 . . . . 0.0 110.522 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.24 -36.98 77.76 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.055 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.69 -51.37 59.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.205 0.457 . . . . 0.0 109.926 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.47 -38.21 83.52 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.495 0.589 . . . . 0.0 110.995 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.37 -25.19 66.68 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -93.03 -37.94 11.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.675 0.79 . . . . 0.0 111.584 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.21 121.82 11.65 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.629 0.772 . . . . 0.0 109.759 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.78 51.57 1.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.734 2.014 . . . . 0.0 108.895 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -71.07 155.3 93.44 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 121.108 -0.995 . . . . 0.0 111.426 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.94 152.96 90.69 Favored 'Cis proline' 0 CA--C 1.537 0.644 0 CA-C-N 119.306 0.788 . . . . 0.0 111.083 -10.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -141.4 -168.32 2.61 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.234 1.414 . . . . 0.0 108.526 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -135.3 169.58 17.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 119.48 1.036 . . . . 0.0 111.552 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.23 -179.58 40.76 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-O 121.773 0.651 . . . . 0.0 111.883 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -115.31 120.77 40.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -77.27 105.4 8.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 168.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -77.25 53.79 1.04 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.932 1.693 . . . . 0.0 107.313 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 126.141 1.777 . . . . 0.0 112.412 -168.349 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -130.71 105.3 7.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -169.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -114.36 118.15 33.05 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -69.93 132.32 45.78 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.79 145.96 28.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.357 0.663 . . . . 0.0 110.757 -174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -96.93 122.32 39.78 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 103.722 -2.696 . . . . 0.0 103.722 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.17 109.02 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.45 -34.77 79.07 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.154 0.581 . . . . 0.0 110.406 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.83 -176.16 33.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -173.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.0 tpt -62.67 145.48 54.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.067 0.547 . . . . 0.0 109.596 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 167.88 11.2 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.571 0.749 . . . . 0.0 111.102 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.62 150.6 5.86 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.15 2.567 . . . . 0.0 112.818 171.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.93 -33.31 64.59 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.104 0.962 . . . . 0.0 111.384 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.93 -30.57 69.92 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.239 1.016 . . . . 0.0 112.355 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -75.65 -42.67 50.75 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.0 m -78.05 15.79 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.422 1.089 . . . . 0.0 113.634 -173.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -15.88 61.89 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.772 1.229 . . . . 0.0 112.488 -177.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -142.16 -31.94 0.52 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.635 0.774 . . . . 0.0 112.898 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.79 156.79 43.82 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.312 1.045 . . . . 0.0 109.309 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -85.78 118.67 25.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.777 0.831 . . . . 0.0 109.589 -173.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -129.05 153.0 48.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.253 1.021 . . . . 0.0 109.634 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.17 145.91 32.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 124.247 1.019 . . . . 0.0 108.644 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -81.32 139.4 35.41 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.7 139.43 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.746 0.819 . . . . 0.0 110.046 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.48 135.17 44.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.5 66.23 5.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.175 0.99 . . . . 0.0 110.159 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 pt -59.54 -13.47 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 121.38 -0.825 . . . . 0.0 112.702 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.69 -10.47 65.12 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.21 -1.328 . . . . 0.0 113.246 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.48 -25.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-N 119.612 1.706 . . . . 0.0 116.127 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.26 -40.11 0.47 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.651 1.725 . . . . 0.0 111.517 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 60.51 -34.38 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.801 3.241 . . . . 0.0 115.487 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.71 0.51 57.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.254 1.421 . . . . 0.0 113.176 -169.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -137.8 164.03 29.92 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.045 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.83 148.42 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.805 1.642 . . . . 0.0 109.228 -169.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -141.47 -173.48 3.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 128.113 2.565 . . . . 0.0 107.398 -176.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.6 m -123.89 147.71 47.44 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.73 148.65 50.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.802 1.241 . . . . 0.0 109.017 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 129.34 38.61 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 169.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.1 -31.49 70.09 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -49.4 -23.19 1.39 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.349 171.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -116.22 12.89 15.56 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.979 0.809 . . . . 0.0 112.14 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.43 155.09 19.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 125.226 1.41 . . . . 0.0 109.416 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -122.23 131.65 54.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.44 140.96 32.04 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -129.35 142.42 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 125.002 1.321 . . . . 0.0 107.556 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.97 21.54 7.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.806 1.642 . . . . 0.0 114.084 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -79.68 166.31 2.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.165 0.986 . . . . 0.0 111.618 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.94 161.96 27.96 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.34 -42.43 86.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.265 0.626 . . . . 0.0 112.429 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -39.97 75.43 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.242 0.928 . . . . 0.0 110.579 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.5 m -60.1 -49.82 76.12 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.81 1.244 . . . . 0.0 110.187 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.59 -47.33 86.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.685 0.675 . . . . 0.0 109.759 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.41 -36.98 84.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.056 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.41 92.57 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.373 0.988 . . . . 0.0 110.835 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.22 -45.49 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.85 82.78 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.45 0.7 . . . . 0.0 110.806 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.04 -46.41 89.61 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.773 0.829 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.78 -44.39 96.86 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.766 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.16 -44.86 94.28 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.113 0.415 . . . . 0.0 110.331 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -63.05 -41.93 99.59 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.298 0.639 . . . . 0.0 110.6 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -63.14 -49.77 73.05 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.551 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.5 tp -66.22 -29.19 69.4 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.754 1.161 . . . . 0.0 110.817 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 123.958 0.903 . . . . 0.0 112.418 171.414 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.9 0.381 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.81 -0.7 2.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.99 151.42 49.89 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.518 1.127 . . . . 0.0 108.637 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -44.41 -40.35 5.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.413 . . . . 0.0 113.618 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.98 -46.29 36.34 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.244 0.929 . . . . 0.0 108.71 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -64.34 -36.98 85.88 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.84 0.856 . . . . 0.0 109.872 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -73.28 -34.07 65.57 Favored 'General case' 0 C--O 1.231 0.093 0 O-C-N 121.466 -0.771 . . . . 0.0 110.998 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.146 0.884 . . . . 0.0 109.502 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.63 -39.18 88.16 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.674 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.22 -52.22 45.5 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 119.471 1.032 . . . . 0.0 111.325 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -54.59 -50.58 67.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.402 0.681 . . . . 0.0 110.913 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -56.52 -47.66 78.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.163 0.585 . . . . 0.0 110.957 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.03 -52.19 64.94 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.404 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -36.75 74.6 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.004 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.39 -49.95 67.33 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.673 0.669 . . . . 0.0 109.838 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.63 -39.09 83.17 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.353 0.661 . . . . 0.0 110.971 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 83.5 m -93.96 -37.8 11.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.695 0.798 . . . . 0.0 111.671 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.58 123.18 15.4 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 109.642 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.47 51.7 1.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.362 1.865 . . . . 0.0 108.835 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -70.99 153.03 94.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 O-C-N 120.983 -1.073 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.16 150.74 91.66 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.25 0.768 . . . . 0.0 110.669 -10.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -141.09 -170.15 2.99 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.141 1.376 . . . . 0.0 108.334 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -131.72 166.9 20.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.649 1.113 . . . . 0.0 112.056 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.96 -178.56 38.92 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -114.3 122.64 47.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -75.98 105.77 7.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -84.54 50.35 1.87 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.695 1.598 . . . . 0.0 108.012 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt . . . . . 0 N--CA 1.458 -0.05 0 C-N-CA 124.793 1.237 . . . . 0.0 110.577 -168.839 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.37 116.54 18.43 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -123.47 122.63 38.73 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -70.95 132.76 45.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -139.87 146.95 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.0 0.52 . . . . 0.0 110.562 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.95 115.43 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.09 108.79 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.24 -30.41 54.5 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.085 0.554 . . . . 0.0 111.657 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.13 -179.62 34.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.49 149.71 48.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.344 -0.504 . . . . 0.0 110.426 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 171.15 6.91 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 123.984 0.914 . . . . 0.0 109.562 169.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.45 146.63 13.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.675 2.25 . . . . 0.0 112.254 171.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -29.14 64.72 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.208 0.603 . . . . 0.0 111.708 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 -34.31 77.57 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.706 0.802 . . . . 0.0 111.922 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.7 -40.56 72.79 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.3 15.44 0.96 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -171.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.22 -7.61 54.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.0 0.92 . . . . 0.0 112.249 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.78 -25.59 0.68 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -151.85 147.9 27.17 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -76.92 84.6 3.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -78.42 150.32 33.1 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.837 -0.539 . . . . 0.0 109.647 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 m -135.22 145.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.47 1.108 . . . . 0.0 108.771 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.52 143.64 38.27 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 169.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.16 142.28 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -169.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 135.36 54.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.6 65.51 7.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.288 1.035 . . . . 0.0 111.182 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.84 -17.98 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 121.487 -0.758 . . . . 0.0 112.573 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.84 -3.6 87.87 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.904 1.24 . . . . 0.0 113.03 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.29 -95.38 0.12 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 119.225 1.513 . . . . 0.0 111.098 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.33 -35.4 75.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.753 0.777 . . . . 0.0 112.481 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 60.34 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 130.268 3.427 . . . . 0.0 116.292 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.36 9.09 15.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.877 1.671 . . . . 0.0 111.257 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -135.27 163.39 30.08 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.914 0.886 . . . . 0.0 110.937 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.19 145.86 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.028 1.731 . . . . 0.0 109.291 -168.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -136.19 -174.67 3.75 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.208 2.203 . . . . 0.0 108.224 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 m -118.31 145.01 45.41 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 171.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.66 156.51 48.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.821 1.248 . . . . 0.0 109.25 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 128.58 33.82 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 173.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.91 -32.63 70.93 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.496 1.044 . . . . 0.0 109.569 169.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -54.3 -14.97 1.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.857 2.463 . . . . 0.0 114.198 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -123.55 15.23 9.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.131 1.373 . . . . 0.0 110.637 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -123.78 155.85 30.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 125.739 1.616 . . . . 0.0 109.509 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.25 118.72 27.45 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.96 140.14 40.36 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -130.63 142.85 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.627 1.171 . . . . 0.0 108.516 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.29 36.71 20.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.599 1.56 . . . . 0.0 113.273 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.46 168.71 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.832 0.853 . . . . 0.0 110.642 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.45 151.83 43.21 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.514 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.11 -42.97 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.089 0.956 . . . . 0.0 111.974 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -72.9 -27.29 61.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.271 0.941 . . . . 0.0 111.069 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.2 m -72.52 -49.2 34.53 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -45.74 90.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -63.08 -41.64 99.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.974 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.69 90.97 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.913 1.233 . . . . 0.0 111.042 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.55 -45.67 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.92 78.97 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.365 0.53 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.87 -42.77 94.57 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.044 0.938 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -62.97 -44.96 94.63 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 123.084 0.554 . . . . 0.0 110.63 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.52 -46.89 86.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.443 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -33.9 72.23 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.736 0.698 . . . . 0.0 110.74 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -58.86 -39.16 80.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.445 1.02 . . . . 0.0 111.146 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.02 -43.66 86.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.429 -0.795 . . . . 0.0 108.896 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 123.748 0.819 . . . . 0.0 112.332 174.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.175 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.62 1.85 3.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.16 0.984 . . . . 0.0 111.594 -173.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -129.61 145.49 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.698 1.199 . . . . 0.0 108.495 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -34.12 43.54 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.49 -43.77 65.96 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 119.63 1.104 . . . . 0.0 109.099 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.54 -38.43 87.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.051 0.54 . . . . 0.0 109.794 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -70.9 -32.03 68.86 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.446 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.24 96.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.95 0.795 . . . . 0.0 109.861 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -65.45 -42.78 91.99 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.246 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.31 -50.68 55.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 119.009 0.822 . . . . 0.0 111.18 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -53.83 -57.15 11.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.292 0.637 . . . . 0.0 110.834 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.2 -46.75 69.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.531 0.732 . . . . 0.0 111.315 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.11 -54.25 46.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.815 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -36.13 70.85 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.612 -175.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.62 -54.04 33.18 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.68 -38.6 88.39 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.138 0.881 . . . . 0.0 111.413 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.24 -26.47 68.8 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.2 m -87.55 -30.04 20.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.973 0.909 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.02 123.7 17.45 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.1 0.864 . . . . 0.0 108.689 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.67 48.86 1.11 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.893 1.277 . . . . 0.0 109.137 172.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -64.52 154.35 84.53 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.277 1.031 . . . . 0.0 111.38 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.69 154.18 95.66 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 119.22 0.757 . . . . 0.0 111.021 -10.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -144.82 -167.88 2.78 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.24 1.416 . . . . 0.0 108.224 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.38 167.39 20.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.486 1.039 . . . . 0.0 112.283 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.38 -178.46 37.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.412 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -116.8 121.7 42.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.59 107.9 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.56 49.17 1.53 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.919 1.688 . . . . 0.0 108.996 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 CA--C 1.52 -0.19 0 C-N-CA 124.83 1.252 . . . . 0.0 109.839 -169.187 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.43 92.71 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -96.47 119.79 35.6 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -70.39 132.33 45.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -139.18 146.49 25.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 123.131 0.573 . . . . 0.0 110.98 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.38 132.39 41.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 104.079 -2.564 . . . . 0.0 104.079 168.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.63 112.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.62 -30.18 41.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.89 0.876 . . . . 0.0 111.714 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.85 174.18 23.01 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.218 -2.353 . . . . 0.0 107.218 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.3 mtp -65.41 151.84 45.34 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 117.919 0.86 . . . . 0.0 111.087 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.49 176.03 2.16 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.372 1.469 . . . . 0.0 111.297 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.84 147.76 4.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.311 2.674 . . . . 0.0 112.808 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.01 -40.45 67.02 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.82 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.74 -28.03 66.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.609 0.764 . . . . 0.0 112.033 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.7 -45.43 36.9 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.355 -0.84 . . . . 0.0 109.488 170.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.0 m -70.95 6.36 1.59 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.49 1.116 . . . . 0.0 113.274 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.58 -7.76 59.63 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.179 2.192 . . . . 0.0 112.404 -172.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -137.63 -30.62 0.82 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.147 0.979 . . . . 0.0 112.574 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.63 159.3 36.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -86.0 129.39 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.875 1.216 . . . . 0.0 109.0 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -132.39 157.05 45.53 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.128 0.971 . . . . 0.0 110.076 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.45 145.71 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 124.184 0.994 . . . . 0.0 109.583 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.76 140.73 42.54 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.13 144.11 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -169.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.8 138.64 49.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -84.07 61.93 6.76 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 124.924 1.29 . . . . 0.0 110.322 -170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -58.0 -17.5 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.198 -0.939 . . . . 0.0 112.836 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.36 -11.37 78.15 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.43 -1.206 . . . . 0.0 113.377 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.11 -44.58 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.447 1.623 . . . . 0.0 114.324 -170.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -161.79 73.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.536 1.935 . . . . 0.0 106.449 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.01 -30.9 6.67 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.954 1.702 . . . . 0.0 112.383 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.88 -15.13 63.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.913 1.285 . . . . 0.0 113.39 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -120.51 156.42 31.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.395 0.998 . . . . 0.0 111.774 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.15 144.69 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.471 1.508 . . . . 0.0 109.088 -168.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.92 -170.96 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.23 2.212 . . . . 0.0 107.953 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.6 m -118.63 144.85 45.88 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 169.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 152.7 51.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.664 1.186 . . . . 0.0 109.222 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -72.34 124.98 26.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.96 -35.67 79.16 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -53.52 -13.17 0.56 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.953 2.901 . . . . 0.0 114.218 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.45 15.59 8.91 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.467 1.107 . . . . 0.0 111.667 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -119.58 154.1 22.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.947 1.299 . . . . 0.0 109.547 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -121.75 118.59 29.43 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.9 139.38 39.23 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.5 mt -129.81 141.84 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.315 1.046 . . . . 0.0 108.654 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.48 38.27 25.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.539 1.536 . . . . 0.0 113.013 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -114.0 167.27 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.824 0.85 . . . . 0.0 110.826 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.51 152.4 45.28 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.921 0.889 . . . . 0.0 110.75 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.53 -40.61 68.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.579 1.152 . . . . 0.0 112.185 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.7 -31.17 63.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.334 0.97 . . . . 0.0 111.037 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.1 m -68.98 -50.71 46.61 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -45.77 85.63 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.72 -38.57 91.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.635 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.74 96.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.019 1.281 . . . . 0.0 110.484 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.27 -45.97 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.0 94.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.196 0.598 . . . . 0.0 110.355 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.09 -35.65 78.52 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.682 0.393 . . . . 0.0 111.472 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -61.02 -48.28 82.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.322 0.51 . . . . 0.0 110.493 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.36 -42.05 98.07 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -62.9 -46.06 89.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.203 1.001 . . . . 0.0 110.87 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -57.35 -46.13 83.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.593 0.633 . . . . 0.0 110.128 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.21 -32.07 73.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.49 0.586 . . . . 0.0 110.481 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 C-N-CA 123.346 0.658 . . . . 0.0 111.629 172.368 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -126.91 -6.58 6.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.747 1.219 . . . . 0.0 111.379 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.93 148.58 51.81 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.777 1.231 . . . . 0.0 108.87 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -54.8 -33.19 61.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.88 -42.29 90.5 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.688 1.131 . . . . 0.0 109.696 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -66.75 -38.44 86.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.131 0.572 . . . . 0.0 109.615 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -70.68 -29.65 66.02 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.643 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.94 94.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.018 0.826 . . . . 0.0 109.342 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.39 -39.3 85.58 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.707 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.0 -52.44 46.78 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 119.445 1.02 . . . . 0.0 111.179 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.27 -53.58 48.76 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.412 0.685 . . . . 0.0 111.206 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -55.85 -48.08 76.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.18 0.592 . . . . 0.0 111.047 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.68 -51.76 67.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.35 0.523 . . . . 0.0 110.053 -173.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -36.39 71.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.565 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.29 -51.7 62.24 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.722 0.692 . . . . 0.0 109.812 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.32 -39.78 84.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.633 0.651 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.3 -25.41 67.61 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -94.46 -35.61 12.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.727 0.811 . . . . 0.0 111.955 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.5 121.19 10.9 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.918 0.781 . . . . 0.0 108.919 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.51 48.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.933 1.293 . . . . 0.0 109.447 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -63.99 155.44 78.19 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 0.0 111.568 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.98 153.72 91.04 Favored 'Cis proline' 0 CA--C 1.538 0.68 0 CA-C-N 119.325 0.795 . . . . 0.0 111.185 -9.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -143.44 -171.69 3.55 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.086 1.354 . . . . 0.0 108.663 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ptm -129.81 167.04 18.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.546 1.066 . . . . 0.0 111.798 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.79 -176.43 37.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-O 122.182 0.879 . . . . 0.0 111.706 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -118.44 120.65 38.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.43 108.99 10.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -82.14 48.49 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.16 1.784 . . . . 0.0 108.539 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 N--CA 1.463 0.212 0 C-N-CA 124.138 0.975 . . . . 0.0 110.496 -168.712 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.73 107.1 9.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -111.52 120.62 42.75 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -71.02 132.97 45.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.75 155.44 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.261 0.624 . . . . 0.0 111.379 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -107.91 115.75 30.71 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.36 114.14 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.1 mt -79.98 -28.24 39.54 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.249 0.62 . . . . 0.0 112.211 -169.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.37 177.7 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.2 mtp -64.4 149.58 48.09 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.673 . . . . 0.0 110.358 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 168.97 9.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.701 0.801 . . . . 0.0 109.311 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -47.99 141.53 16.99 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 170.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.88 -28.98 64.66 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.94 -31.25 70.79 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.396 1.078 . . . . 0.0 112.478 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.08 -32.02 21.61 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.887 -0.508 . . . . 0.0 110.119 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.29 18.64 0.2 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.61 -13.71 61.85 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.203 1.401 . . . . 0.0 112.434 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.47 -23.54 0.98 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.98 152.2 32.16 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -78.62 81.25 4.95 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -75.99 150.35 37.44 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.891 0.476 . . . . 0.0 110.221 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.54 142.06 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.306 1.042 . . . . 0.0 108.988 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.51 144.29 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -150.57 139.7 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -169.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.76 135.24 50.3 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -84.82 71.18 10.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.975 0.91 . . . . 0.0 109.921 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.6 pt -60.38 -9.78 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.97 -15.3 49.26 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 118.5 -1.166 . . . . 0.0 112.917 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -17.29 0.22 Allowed Glycine 0 CA--C 1.529 0.936 0 CA-C-N 119.254 1.527 . . . . 0.0 115.935 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -137.64 -44.53 0.54 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.596 1.698 . . . . 0.0 110.97 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.06 -26.74 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.384 3.074 . . . . 0.0 115.495 -171.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.52 7.33 22.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.81 1.644 . . . . 0.0 111.811 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -134.73 162.07 33.38 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.934 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.87 148.37 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.831 1.653 . . . . 0.0 109.848 -168.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -138.63 -170.44 2.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.689 2.395 . . . . 0.0 108.284 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.5 m -123.38 146.87 47.63 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.71 159.69 40.84 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.649 1.179 . . . . 0.0 110.042 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -81.19 127.25 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.88 -31.98 69.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.877 1.217 . . . . 0.0 109.992 171.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -51.93 -16.13 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.362 2.665 . . . . 0.0 114.517 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -124.21 13.85 8.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 111.556 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.08 156.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 125.66 1.584 . . . . 0.0 109.349 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.0 119.23 28.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 140.59 38.23 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.9 mt -130.87 144.11 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 124.81 1.244 . . . . 0.0 108.426 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.7 37.9 21.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.567 1.547 . . . . 0.0 113.27 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.81 168.92 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.72 152.0 45.27 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.994 0.918 . . . . 0.0 110.446 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.7 -42.43 75.23 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.194 0.998 . . . . 0.0 112.023 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -73.26 -28.89 62.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.207 0.912 . . . . 0.0 111.008 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -70.24 -50.55 38.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -44.78 90.58 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.07 -39.6 94.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.392 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.52 97.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.691 1.132 . . . . 0.0 110.602 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.37 -45.78 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.22 90.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.068 0.547 . . . . 0.0 110.069 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.55 -37.33 82.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.126 0.571 . . . . 0.0 111.882 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -59.43 -46.66 88.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.722 0.692 . . . . 0.0 110.266 170.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.07 -40.78 97.02 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.14 -0.35 . . . . 0.0 110.256 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.61 -43.36 97.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.478 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -60.1 -41.68 93.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.275 0.943 . . . . 0.0 110.836 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.64 -43.36 93.88 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.763 1.225 . . . . 0.0 112.555 177.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.88 5.0 2.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.712 0.805 . . . . 0.0 112.372 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.79 148.12 48.61 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.972 1.309 . . . . 0.0 108.023 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.52 -36.36 55.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.54 -43.09 73.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.435 1.016 . . . . 0.0 109.429 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -68.04 -38.93 83.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.38 0.672 . . . . 0.0 109.582 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.43 -29.33 64.76 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.795 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.2 91.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.969 0.804 . . . . 0.0 109.626 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mmt -67.18 -38.01 84.66 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.593 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.74 46.83 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 119.226 0.921 . . . . 0.0 111.295 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -53.34 -53.54 49.54 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.454 0.702 . . . . 0.0 110.972 171.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.141 0.577 . . . . 0.0 111.223 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.83 -50.88 64.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.49 0.586 . . . . 0.0 110.387 -171.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.18 76.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.182 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.23 -51.9 64.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.427 0.558 . . . . 0.0 109.896 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.24 -40.1 84.87 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.534 0.606 . . . . 0.0 111.016 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.41 -25.18 67.43 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -94.03 -36.55 12.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.89 0.876 . . . . 0.0 111.908 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.66 120.6 9.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.792 . . . . 0.0 109.105 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.92 49.22 1.33 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.918 1.287 . . . . 0.0 109.242 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -63.22 155.43 73.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 124.215 1.006 . . . . 0.0 111.423 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.76 156.14 92.92 Favored 'Cis proline' 0 CA--C 1.538 0.701 0 CA-C-N 119.384 0.816 . . . . 0.0 111.481 -9.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -145.24 -170.11 3.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.049 1.34 . . . . 0.0 109.106 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ptm -133.65 167.88 19.69 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.24 0.927 . . . . 0.0 111.601 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.17 -178.32 38.86 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 121.904 0.724 . . . . 0.0 112.349 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.2 123.54 49.14 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 169.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -76.22 102.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -77.55 52.56 0.99 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.846 1.659 . . . . 0.0 109.453 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt . . . . . 0 CA--C 1.523 -0.087 0 C-N-CA 123.63 0.772 . . . . 0.0 110.627 -169.407 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -131.05 115.91 17.07 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -169.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -129.42 126.48 38.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -71.94 134.24 45.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.03 155.63 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.328 0.651 . . . . 0.0 111.096 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -108.51 135.77 49.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.18 115.09 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -169.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.66 -26.2 32.36 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.149 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.99 -178.79 31.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -63.46 149.7 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.644 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.13 169.65 9.5 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.52 139.39 17.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.55 2.167 . . . . 0.0 112.0 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.16 -28.29 64.6 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.196 0.599 . . . . 0.0 111.196 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.79 -32.87 69.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.752 1.221 . . . . 0.0 112.424 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.12 -30.39 21.12 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.903 0.481 . . . . 0.0 110.236 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.33 20.67 0.39 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.155 0.982 . . . . 0.0 113.22 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -8.62 55.83 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.526 1.531 . . . . 0.0 113.348 -173.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -149.44 -21.56 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.79 143.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -173.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.97 128.6 33.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.685 0.675 . . . . 0.0 109.434 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -125.78 153.09 44.53 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.362 1.065 . . . . 0.0 109.35 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.36 144.86 32.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 124.227 1.011 . . . . 0.0 109.398 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.61 138.71 43.14 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 169.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.48 129.07 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -169.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.05 132.13 43.86 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -88.76 71.57 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.36 0.6 . . . . 0.0 110.69 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 pt -60.84 -5.7 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.24 -10.21 49.05 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.765 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.57 -16.02 0.08 OUTLIER Glycine 0 CA--C 1.532 1.11 0 CA-C-N 119.532 1.666 . . . . 0.0 116.252 -170.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -138.34 -38.97 0.53 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.023 1.912 . . . . 0.0 111.631 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.01 -24.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.25 3.02 . . . . 0.0 115.968 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -120.18 12.23 11.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.95 1.7 . . . . 0.0 111.165 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -138.03 161.24 37.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.457 1.103 . . . . 0.0 110.628 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.75 149.67 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.572 1.549 . . . . 0.0 110.842 -168.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -142.09 -167.22 2.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.94 2.496 . . . . 0.0 108.047 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -123.15 147.69 46.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.82 155.57 48.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.447 1.099 . . . . 0.0 109.656 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -74.8 125.65 29.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.76 -2.311 . . . . 0.0 104.76 171.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.01 -35.08 74.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.209 0.913 . . . . 0.0 109.403 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -52.24 -11.19 0.16 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.837 3.255 . . . . 0.0 114.52 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -128.14 13.05 6.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.438 1.095 . . . . 0.0 112.079 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.32 157.41 22.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.95 1.7 . . . . 0.0 108.901 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -125.06 135.9 53.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.71 142.54 27.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.5 mt -129.82 143.23 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.998 1.319 . . . . 0.0 108.246 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.51 36.71 21.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.523 1.529 . . . . 0.0 113.162 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.4 p -110.51 169.96 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.991 0.916 . . . . 0.0 110.421 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.39 150.94 47.46 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.453 0.701 . . . . 0.0 110.286 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.13 -41.93 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.086 0.954 . . . . 0.0 111.859 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -73.41 -28.29 61.92 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.247 0.931 . . . . 0.0 111.074 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.2 m -70.17 -50.23 42.36 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.51 -45.63 88.39 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.21 -39.81 95.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.406 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.3 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.591 1.087 . . . . 0.0 110.536 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.26 -46.55 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.94 93.02 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.026 0.531 . . . . 0.0 110.409 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.12 -37.32 85.44 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.541 0.736 . . . . 0.0 111.539 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -62.26 -46.58 88.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.695 0.68 . . . . 0.0 110.669 171.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.65 -42.41 99.58 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.999 -0.438 . . . . 0.0 110.124 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -62.46 -48.73 78.35 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.244 0.475 . . . . 0.0 109.848 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -52.58 -45.18 66.38 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.352 0.661 . . . . 0.0 110.948 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -43.92 93.97 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.661 0 C-N-CA 123.161 0.584 . . . . 0.0 112.459 -172.39 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.65 6.93 2.51 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.995 0.918 . . . . 0.0 112.11 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -136.03 147.58 47.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.119 1.368 . . . . 0.0 107.911 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -33.5 46.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.99 -44.12 70.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.527 1.058 . . . . 0.0 109.248 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -69.37 -38.26 77.97 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.163 0.585 . . . . 0.0 109.693 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.5 -28.95 64.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.509 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.88 95.46 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.183 0.901 . . . . 0.0 109.364 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -67.3 -39.93 86.0 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.804 0.729 . . . . 0.0 111.844 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.4 50.58 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -53.69 -53.13 56.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.435 0.694 . . . . 0.0 110.671 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.99 -51.43 67.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.592 0.757 . . . . 0.0 111.292 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -70.64 -41.49 72.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.904 -169.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.89 1.223 . . . . 0.0 110.372 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.72 -53.95 43.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.467 0.576 . . . . 0.0 109.569 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.25 -40.44 85.98 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.695 0.68 . . . . 0.0 111.207 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.53 -27.19 68.79 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -86.75 -38.26 17.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.651 0.78 . . . . 0.0 111.173 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.4 mt -56.96 121.73 10.64 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.52 0.728 . . . . 0.0 109.852 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.67 52.11 0.97 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.587 1.955 . . . . 0.0 108.702 170.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -69.67 153.31 95.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 121.015 -1.053 . . . . 0.0 110.913 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.47 152.83 94.44 Favored 'Cis proline' 0 CA--C 1.538 0.723 0 CA-C-N 119.34 0.8 . . . . 0.0 110.711 -10.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.88 -170.78 3.1 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.839 1.256 . . . . 0.0 108.627 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 ptm -131.73 166.02 22.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 119.508 1.049 . . . . 0.0 111.594 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.0 -178.01 37.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 121.872 0.707 . . . . 0.0 112.346 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -117.73 121.09 39.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -78.29 107.73 11.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -81.11 53.31 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.603 1.561 . . . . 0.0 108.473 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 N--CA 1.461 0.1 0 C-N-CA 123.608 0.763 . . . . 0.0 109.476 -169.34 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -126.91 89.36 2.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -169.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -94.25 118.42 31.55 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 m -69.68 133.49 47.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.45 153.94 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 111.813 -171.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -104.54 133.15 49.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -109.6 111.37 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.6 -27.39 55.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.065 0.546 . . . . 0.0 111.768 -169.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.41 179.37 29.64 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.0 mtp -64.0 151.68 42.19 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.372 -0.487 . . . . 0.0 110.393 170.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 173.91 2.65 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.607 0.763 . . . . 0.0 109.15 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.32 144.19 31.59 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.133 1.889 . . . . 0.0 111.724 171.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -29.71 64.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.066 0.546 . . . . 0.0 111.062 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.67 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.84 0.856 . . . . 0.0 112.41 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -75.81 -42.58 49.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.73 24.68 0.37 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 114.297 -169.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -8.65 50.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.91 1.284 . . . . 0.0 111.984 173.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -138.57 -29.92 0.78 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.067 0.947 . . . . 0.0 112.963 -169.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -154.72 151.2 28.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.6 mmt -80.18 82.73 6.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -78.09 151.91 33.16 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.637 -0.665 . . . . 0.0 110.603 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -134.9 144.36 34.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.629 1.172 . . . . 0.0 109.042 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.03 139.34 40.02 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.6 p -145.36 139.26 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -169.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.25 137.55 52.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.624 1.17 . . . . 0.0 108.815 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -86.32 68.78 10.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.503 1.121 . . . . 0.0 110.626 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 pt -59.09 -16.84 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.696 -0.627 . . . . 0.0 112.412 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.72 -5.0 88.57 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.895 1.236 . . . . 0.0 113.133 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.42 -90.04 0.07 OUTLIER Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.459 1.63 . . . . 0.0 111.525 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.3 -38.51 77.21 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.051 0.926 . . . . 0.0 112.11 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 59.7 -24.51 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 130.357 3.463 . . . . 0.0 116.353 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.14 14.27 9.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.236 1.814 . . . . 0.0 110.806 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -134.9 161.32 35.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.851 1.26 . . . . 0.0 110.08 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.51 151.25 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.776 1.23 . . . . 0.0 110.522 -168.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.97 -169.42 3.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.858 2.463 . . . . 0.0 108.264 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 m -122.79 147.0 47.03 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 160.91 37.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.662 1.185 . . . . 0.0 109.865 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 126.68 31.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 171.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.39 -32.36 68.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.41 1.005 . . . . 0.0 109.095 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -52.79 -13.93 0.48 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.94 2.896 . . . . 0.0 114.331 172.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -127.34 12.83 7.07 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.619 1.168 . . . . 0.0 112.024 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mt -120.09 157.77 22.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 126.209 1.804 . . . . 0.0 108.822 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -124.78 134.91 52.61 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.27 141.88 30.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.12 140.39 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.854 1.262 . . . . 0.0 108.159 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 53.25 35.34 19.81 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.67 1.588 . . . . 0.0 113.474 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 p -105.67 168.08 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.79 0.836 . . . . 0.0 110.392 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 156.76 34.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.512 0.725 . . . . 0.0 110.779 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.6 -40.78 84.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.39 0.676 . . . . 0.0 112.539 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.61 -40.79 76.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.274 0.943 . . . . 0.0 110.486 -176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 m -60.76 -51.03 71.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.5 1.12 . . . . 0.0 109.963 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.17 -45.14 94.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.262 0.483 . . . . 0.0 109.781 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.75 -37.39 87.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.717 0.69 . . . . 0.0 111.548 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.87 96.0 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.186 0.903 . . . . 0.0 110.117 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.68 -47.24 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.69 0.796 . . . . 0.0 109.142 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.37 92.22 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.419 0.687 . . . . 0.0 110.217 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.79 -32.65 72.53 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 118.13 -0.938 . . . . 0.0 112.039 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -62.45 -46.53 88.1 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.031 1.287 . . . . 0.0 110.297 170.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.8 -46.16 89.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.44 -44.96 95.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.132 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -55.52 -40.89 72.4 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.955 1.252 . . . . 0.0 110.935 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.46 -39.01 86.02 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.162 176.357 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.115 0.483 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.04 -30.7 0.79 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.616 1.166 . . . . 0.0 111.187 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.27 155.37 42.02 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.246 1.418 . . . . 0.0 108.813 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -28.35 55.25 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.736 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.8 -41.81 86.99 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 120.091 1.314 . . . . 0.0 108.971 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.44 -37.76 80.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.307 0.643 . . . . 0.0 109.944 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.06 -39.15 89.87 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.551 -0.718 . . . . 0.0 110.768 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.6 94.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.141 -0.456 . . . . 0.0 109.783 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -63.35 -42.11 98.89 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.627 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.08 -52.22 50.6 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.299 0.954 . . . . 0.0 111.434 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -52.67 -54.73 29.41 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.523 0.729 . . . . 0.0 110.599 171.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -56.28 -46.06 79.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.41 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -61.98 -52.71 62.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.908 0.776 . . . . 0.0 110.005 -173.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -37.39 74.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.206 -177.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.02 -51.7 55.95 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.24 0.616 . . . . 0.0 110.144 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.4 -39.13 89.59 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.424 0.69 . . . . 0.0 110.924 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.95 -27.63 68.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.5 m -83.06 -43.6 16.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.402 0.681 . . . . 0.0 110.87 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.97 119.61 5.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.587 1.155 . . . . 0.0 110.104 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.49 41.79 0.41 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.75 0.82 . . . . 0.0 111.268 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -58.4 154.21 34.17 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.032 0.933 . . . . 0.0 112.012 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -70.0 157.94 92.22 Favored 'Cis proline' 0 CA--C 1.537 0.663 0 CA-C-N 119.562 0.879 . . . . 0.0 111.85 -6.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -147.79 -165.92 2.39 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.579 1.552 . . . . 0.0 108.132 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.2 ptm -134.42 170.46 15.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 119.302 0.956 . . . . 0.0 112.31 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.15 -177.63 38.94 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-O 122.134 0.852 . . . . 0.0 111.708 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -117.15 118.64 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.32 109.2 11.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -81.17 47.89 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.75 1.62 . . . . 0.0 108.472 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt . . . . . 0 CA--C 1.52 -0.199 0 C-N-CA 123.896 0.878 . . . . 0.0 111.475 -168.799 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -82.32 94.79 7.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -97.93 118.09 33.71 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -69.11 132.39 46.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.81 146.88 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.253 0.621 . . . . 0.0 110.916 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.74 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 103.583 -2.747 . . . . 0.0 103.583 168.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.9 107.74 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.19 -30.59 63.64 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.26 0.624 . . . . 0.0 111.009 -169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 -178.07 33.2 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.97 154.36 34.32 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.347 0.594 . . . . 0.0 110.197 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 174.32 2.27 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.329 1.452 . . . . 0.0 111.566 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.61 153.35 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.62 2.88 . . . . 0.0 113.715 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.47 -39.82 61.6 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.663 1.185 . . . . 0.0 110.74 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.49 -31.85 67.59 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.039 0.936 . . . . 0.0 111.816 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.48 -44.52 57.77 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.5 m -70.82 1.14 5.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.874 0.87 . . . . 0.0 113.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -83.65 -9.04 59.15 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.055 1.742 . . . . 0.0 111.983 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.34 -24.96 0.95 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -157.47 156.79 32.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.205 1.402 . . . . 0.0 107.424 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -82.98 121.8 27.47 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 119.459 1.027 . . . . 0.0 109.185 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.08 155.16 46.63 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.2 1.0 . . . . 0.0 109.397 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.41 144.82 31.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.476 1.11 . . . . 0.0 108.83 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.24 137.96 35.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 m -142.54 138.81 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.405 0.682 . . . . 0.0 110.481 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.02 135.5 48.47 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.45 65.89 6.78 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 124.37 1.068 . . . . 0.0 110.477 -173.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 pt -58.77 -14.29 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.378 -0.826 . . . . 0.0 112.801 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.77 64.47 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.234 -1.314 . . . . 0.0 113.202 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.56 -25.78 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.555 1.677 . . . . 0.0 115.904 -169.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.45 -40.2 0.46 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.626 1.713 . . . . 0.0 111.607 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.4 t70 60.21 -32.89 0.07 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.683 3.193 . . . . 0.0 115.402 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.83 2.39 56.21 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.518 1.527 . . . . 0.0 113.203 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -138.2 163.43 31.75 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.238 -0.914 . . . . 0.0 110.407 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.79 151.35 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 125.553 1.541 . . . . 0.0 109.988 -169.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -144.25 -173.53 4.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.642 2.377 . . . . 0.0 107.6 -172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.9 m -123.47 147.82 46.8 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.89 150.17 49.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.976 1.311 . . . . 0.0 109.133 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 132.62 43.84 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.24 -30.16 69.23 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 m -53.57 -20.82 5.54 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.804 2.041 . . . . 0.0 114.055 173.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -114.52 14.72 17.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.792 0.724 . . . . 0.0 111.738 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mt -121.65 153.99 25.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 124.81 1.244 . . . . 0.0 109.781 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.06 119.12 27.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 139.12 38.53 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.58 147.07 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.762 1.225 . . . . 0.0 108.114 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.96 39.98 24.14 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.332 1.453 . . . . 0.0 112.779 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.46 166.44 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.232 1.013 . . . . 0.0 109.685 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.64 151.22 47.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 122.957 0.503 . . . . 0.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.67 -40.4 69.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.144 0.978 . . . . 0.0 111.871 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.36 -30.05 63.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.028 0.831 . . . . 0.0 111.24 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 65.7 m -70.14 -48.87 55.59 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -46.47 86.92 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.33 -35.96 82.58 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.505 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.36 87.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.571 1.078 . . . . 0.0 110.489 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.94 -42.78 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.23 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.502 0.592 . . . . 0.0 110.542 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.27 -37.0 77.68 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.649 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -60.87 -45.09 95.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.737 0.699 . . . . 0.0 109.955 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.27 -41.27 98.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.389 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.45 -47.47 83.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.04 0.836 . . . . 0.0 110.44 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -56.73 -44.82 82.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.439 0.563 . . . . 0.0 111.17 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.74 -42.55 77.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.035 0.934 . . . . 0.0 111.672 175.558 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.63 4.59 2.85 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -170.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.14 147.08 52.57 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.086 1.354 . . . . 0.0 107.815 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.81 31.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -176.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.86 -45.73 56.71 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 120.057 1.299 . . . . 0.0 109.435 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.92 -37.4 85.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.018 0.527 . . . . 0.0 109.89 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -72.51 -32.24 65.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.281 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.086 0.857 . . . . 0.0 109.264 170.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.3 mmt -62.91 -43.4 98.9 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.504 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.27 -52.15 51.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 119.657 1.117 . . . . 0.0 111.494 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -56.87 -48.27 78.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.019 0.528 . . . . 0.0 110.949 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.67 -46.42 84.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.046 0.538 . . . . 0.0 111.097 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.32 -52.77 63.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 118.597 0.635 . . . . 0.0 110.249 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -37.72 77.43 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.006 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.08 -51.0 62.14 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.659 0.663 . . . . 0.0 110.037 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.02 -37.35 82.26 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.412 0.551 . . . . 0.0 110.933 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.41 -25.18 65.81 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 m -94.41 -33.36 13.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.703 0.801 . . . . 0.0 111.538 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.71 117.77 5.77 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.4 53.21 2.43 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.715 0.806 . . . . 0.0 109.023 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -60.73 157.64 37.33 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.784 1.234 . . . . 0.0 111.83 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.19 155.24 91.77 Favored 'Cis proline' 0 C--N 1.349 0.602 0 CA-C-N 119.341 0.8 . . . . 0.0 111.501 -8.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.91 -168.74 2.85 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.111 1.364 . . . . 0.0 108.615 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -136.09 168.89 18.53 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.428 1.013 . . . . 0.0 111.943 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.68 -177.32 39.01 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-O 122.127 0.849 . . . . 0.0 111.484 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -116.48 121.47 41.93 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -75.59 107.27 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 169.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.51 52.86 2.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.759 1.623 . . . . 0.0 107.586 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 CA--C 1.52 -0.191 0 C-N-CA 125.367 1.467 . . . . 0.0 109.932 -168.865 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.12 106.1 8.38 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -113.0 119.09 36.7 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -69.06 132.01 45.94 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.09 145.99 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.17 0.588 . . . . 0.0 110.822 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -96.8 130.7 44.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 168.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.25 114.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.96 -29.12 35.41 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.013 0.525 . . . . 0.0 111.68 -169.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.38 178.34 30.42 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.9 mtp -67.77 152.05 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.288 -0.537 . . . . 0.0 110.799 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 168.75 20.13 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 124.483 1.113 . . . . 0.0 111.557 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.08 156.67 7.16 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.682 2.922 . . . . 0.0 114.683 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -46.1 -37.3 6.69 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.585 1.954 . . . . 0.0 111.923 170.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.52 -19.54 57.36 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.205 1.002 . . . . 0.0 113.427 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -122.38 -34.09 3.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.171 0.988 . . . . 0.0 110.465 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.63 -1.48 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 175.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.36 -9.8 58.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.423 1.489 . . . . 0.0 112.354 171.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.32 -28.2 1.51 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.774 1.17 . . . . 0.0 113.615 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -154.32 154.99 34.3 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.574 1.079 . . . . 0.0 109.66 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -80.29 78.16 6.99 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.956 0.902 . . . . 0.0 108.905 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -82.39 153.68 25.6 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.309 0.643 . . . . 0.0 110.163 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.01 145.96 30.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 124.898 1.279 . . . . 0.0 108.695 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.69 140.02 34.58 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.72 143.88 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.385 0.674 . . . . 0.0 110.394 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.37 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -81.72 65.81 7.02 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 111.104 -171.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 pt -58.69 -17.76 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 121.546 -0.721 . . . . 0.0 112.515 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.37 -4.18 88.12 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.908 1.242 . . . . 0.0 113.046 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.99 -96.69 0.13 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 119.185 1.493 . . . . 0.0 111.14 -174.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -60.93 -34.98 75.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 117.632 0.716 . . . . 0.0 112.611 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.23 -26.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.362 3.465 . . . . 0.0 116.661 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.24 10.77 16.05 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.815 1.646 . . . . 0.0 111.385 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.54 164.48 28.62 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.321 1.048 . . . . 0.0 109.834 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.39 148.14 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.409 1.484 . . . . 0.0 109.648 -169.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -143.9 -170.64 3.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.589 2.356 . . . . 0.0 107.849 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.1 m -125.84 147.48 49.43 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.09 158.99 43.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.08 1.352 . . . . 0.0 109.706 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -80.71 126.27 31.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.65 -34.49 71.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.506 1.048 . . . . 0.0 109.752 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -52.63 -16.99 1.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.03 2.532 . . . . 0.0 114.346 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.79 12.95 9.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.488 1.115 . . . . 0.0 111.153 -173.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.52 154.18 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 125.677 1.591 . . . . 0.0 109.34 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.32 118.25 30.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.48 139.55 38.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.24 139.8 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.737 1.215 . . . . 0.0 107.909 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.9 t70 58.23 21.11 7.79 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.711 1.604 . . . . 0.0 113.79 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -75.67 163.73 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.269 1.028 . . . . 0.0 111.962 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.45 157.31 38.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.485 169.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.69 -43.91 80.98 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 112.059 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.38 -29.03 62.35 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.27 0.941 . . . . 0.0 110.766 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.9 m -68.07 -50.86 52.48 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.92 -46.65 84.69 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.593 0.633 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.4 -37.05 85.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.065 0.546 . . . . 0.0 111.104 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.0 86.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.025 0.83 . . . . 0.0 110.493 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.61 -46.57 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.34 91.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.306 0.643 . . . . 0.0 110.444 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.86 -37.32 84.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.771 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -61.56 -46.13 91.2 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.446 0.567 . . . . 0.0 110.502 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -44.1 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.043 0.383 . . . . 0.0 109.988 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.58 -42.18 98.33 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.15 0.58 . . . . 0.0 110.789 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.84 -45.76 91.39 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.947 0.794 . . . . 0.0 110.578 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.29 -37.97 86.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.842 0.747 . . . . 0.0 109.783 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.896 . . . . 0.0 112.039 175.302 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.059 0.457 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -143.47 -29.49 0.52 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.1 0.96 . . . . 0.0 111.944 169.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.09 149.09 26.45 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.258 0.936 . . . . 0.0 109.935 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -52.04 -38.64 57.71 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.64 -40.98 80.02 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.201 0.91 . . . . 0.0 109.273 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.984 0.514 . . . . 0.0 109.831 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -64.8 -41.42 95.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.081 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.64 98.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.329 0.513 . . . . 0.0 109.731 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mmt -63.93 -41.47 97.63 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.926 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.9 -51.83 55.87 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.387 0.994 . . . . 0.0 111.217 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -54.26 -51.59 64.08 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.152 0.581 . . . . 0.0 110.677 172.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.75 -46.85 81.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.585 0.63 . . . . 0.0 111.588 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -61.46 -51.99 66.39 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.75 0.704 . . . . 0.0 110.028 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.27 -37.86 74.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.224 -0.99 . . . . 0.0 110.136 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.81 -52.02 62.11 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.748 0.704 . . . . 0.0 110.019 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.08 -38.06 81.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.309 0.644 . . . . 0.0 111.079 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.91 -25.49 64.61 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -93.51 -37.25 12.02 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.864 0.865 . . . . 0.0 111.491 -174.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.36 116.27 3.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -81.82 51.8 1.8 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.647 0.737 . . . . 0.0 109.048 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -62.43 156.7 60.57 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 124.516 1.126 . . . . 0.0 111.587 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.91 154.62 90.99 Favored 'Cis proline' 0 CA--C 1.537 0.649 0 CA-C-N 119.322 0.793 . . . . 0.0 111.31 -9.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -144.24 -170.46 3.36 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.013 1.325 . . . . 0.0 108.427 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptm -131.37 167.15 19.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 119.387 0.994 . . . . 0.0 112.041 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.55 -175.34 36.7 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-O 122.198 0.888 . . . . 0.0 111.446 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -116.35 119.65 36.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 169.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.18 110.09 11.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -81.64 52.87 1.99 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.407 1.483 . . . . 0.0 107.633 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 CA--C 1.519 -0.221 0 C-N-CA 123.217 0.607 . . . . 0.0 109.755 -169.016 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.64 105.53 12.86 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -107.03 124.8 50.16 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -70.23 132.1 45.22 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.0 152.55 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 121.122 0.487 . . . . 0.0 111.346 -172.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -100.54 132.67 45.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -105.43 112.15 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.55 -30.43 46.88 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 111.866 -169.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.58 -178.97 31.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.991 -2.044 . . . . 0.0 107.991 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.9 mmm -64.68 153.2 40.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.413 0.625 . . . . 0.0 110.645 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.11 173.48 2.62 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.448 1.499 . . . . 0.0 111.139 171.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.25 152.7 3.45 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.475 2.784 . . . . 0.0 113.734 170.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.49 -34.87 64.96 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.687 1.195 . . . . 0.0 111.39 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.48 -33.2 75.37 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.517 0.727 . . . . 0.0 111.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.99 -45.11 28.5 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.94 -2.94 13.91 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.96 -11.1 59.82 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.392 1.477 . . . . 0.0 112.366 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -24.14 1.68 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -157.68 155.65 30.35 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.407 1.003 . . . . 0.0 108.664 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.62 112.87 18.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -123.84 152.29 42.47 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 109.02 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.73 144.75 32.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.46 1.104 . . . . 0.0 109.291 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.59 140.23 42.53 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.8 141.29 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.15 137.53 53.54 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.329 1.052 . . . . 0.0 108.753 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.72 64.95 8.78 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 111.17 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.84 -21.47 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.391 0.677 . . . . 0.0 112.745 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.68 -3.69 88.02 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.238 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -92.64 0.1 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 119.202 1.501 . . . . 0.0 111.063 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -59.39 -39.17 82.49 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.956 0.878 . . . . 0.0 112.122 -173.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t70 58.9 -26.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 130.32 3.448 . . . . 0.0 116.397 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -115.17 9.34 15.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.728 1.611 . . . . 0.0 111.428 -171.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -135.33 162.86 31.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.844 0.858 . . . . 0.0 110.789 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.15 149.0 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 125.534 1.534 . . . . 0.0 108.656 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -140.99 -170.09 2.97 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.57 2.348 . . . . 0.0 108.239 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -123.04 146.5 47.61 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.39 152.46 51.92 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 124.599 1.16 . . . . 0.0 109.424 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 129.75 38.23 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 169.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.66 -30.22 68.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.164 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -50.17 -20.42 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.334 2.654 . . . . 0.0 114.543 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -119.16 13.33 12.87 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.598 0.759 . . . . 0.0 111.989 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.04 154.64 20.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 125.312 1.445 . . . . 0.0 109.394 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.92 118.39 25.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.71 37.58 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.7 mt -131.04 144.79 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.624 1.17 . . . . 0.0 108.63 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 51.66 39.83 26.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.454 1.502 . . . . 0.0 112.849 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -117.98 165.21 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.826 0.85 . . . . 0.0 110.658 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 152.84 44.78 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.918 0.887 . . . . 0.0 110.79 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.82 -40.39 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.966 1.307 . . . . 0.0 112.36 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.1 -34.63 66.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.666 1.121 . . . . 0.0 111.029 -176.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.97 -49.61 60.69 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.17 -43.18 96.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.167 0.587 . . . . 0.0 110.086 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.88 -42.47 89.59 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.71 91.98 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.179 0.445 . . . . 0.0 110.07 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.95 -45.4 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.47 -47.69 83.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.668 0.787 . . . . 0.0 109.865 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.86 -22.85 59.6 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -64.3 -47.77 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.153 1.342 . . . . 0.0 109.282 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.21 -44.19 97.14 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -59.26 -53.86 53.41 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.234 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -48.82 -42.1 35.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.084 1.354 . . . . 0.0 112.353 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.8 -50.99 71.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.427 -176.635 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.76 -0.46 3.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.881 0.873 . . . . 0.0 112.189 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -138.93 151.81 47.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.896 1.278 . . . . 0.0 108.671 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -33.41 61.52 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.53 -42.14 75.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.489 1.04 . . . . 0.0 108.968 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.79 -36.41 80.4 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.735 -0.603 . . . . 0.0 110.065 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -64.58 -39.86 94.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.392 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.67 96.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.048 0.84 . . . . 0.0 109.887 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 mmt -64.98 -40.19 94.6 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.818 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.16 -50.56 66.36 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -53.85 -54.02 44.31 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 110.666 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.45 -47.22 82.4 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.157 0.583 . . . . 0.0 110.533 -176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -58.41 -55.59 33.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.804 0.842 . . . . 0.0 110.366 -172.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -36.34 69.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.854 -0.739 . . . . 0.0 110.151 -176.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.44 -51.24 64.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.788 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.62 -38.06 83.5 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.914 0.779 . . . . 0.0 111.039 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.31 -24.25 66.51 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -95.32 -35.46 11.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.173 0.989 . . . . 0.0 111.822 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.93 121.17 10.51 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -81.33 48.76 1.19 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.996 1.318 . . . . 0.0 109.403 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -64.35 154.72 82.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 111.583 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.58 152.57 92.0 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.235 0.763 . . . . 0.0 111.009 -9.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.3 -171.62 3.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.11 1.364 . . . . 0.0 108.619 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptm -130.17 167.92 17.62 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.563 1.074 . . . . 0.0 111.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.97 -176.54 38.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-O 121.932 0.74 . . . . 0.0 111.711 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -118.45 119.71 35.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.01 109.28 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -80.04 52.51 1.54 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.11 1.364 . . . . 0.0 109.469 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt . . . . . 0 C--N 1.333 -0.113 0 C-N-CA 124.057 0.943 . . . . 0.0 109.903 -169.506 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.28 101.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -169.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -103.28 123.04 46.03 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -69.1 132.77 47.11 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.49 153.38 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 122.756 0.423 . . . . 0.0 110.996 -172.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.83 119.02 38.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -89.56 115.09 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.12 -28.01 29.75 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.2 178.22 32.03 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.778 -2.129 . . . . 0.0 107.778 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.2 mtp -65.59 151.88 45.42 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.998 -0.707 . . . . 0.0 110.704 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.29 171.54 4.77 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.023 1.329 . . . . 0.0 111.087 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.74 152.1 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.354 2.703 . . . . 0.0 113.624 170.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.93 -35.28 64.04 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.095 1.358 . . . . 0.0 111.441 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.96 -29.18 64.0 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.968 0.907 . . . . 0.0 112.225 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.96 -50.23 36.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 171.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.1 m -71.87 7.15 1.67 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.428 1.491 . . . . 0.0 114.478 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -13.24 61.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.044 1.737 . . . . 0.0 111.945 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -146.11 -23.95 0.45 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -169.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.41 152.31 25.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -84.55 120.69 26.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -127.09 154.56 44.56 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.328 1.051 . . . . 0.0 108.999 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -136.76 144.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.828 0.851 . . . . 0.0 109.425 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.87 142.51 44.09 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.92 141.35 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -169.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.16 136.11 53.46 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -86.34 65.73 9.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.006 0.923 . . . . 0.0 111.095 -171.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.3 pt -57.06 -21.58 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.05 -4.54 88.35 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.886 1.231 . . . . 0.0 113.098 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.76 -93.1 0.11 Allowed Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.149 1.474 . . . . 0.0 111.079 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -60.73 -37.32 81.35 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.81 0.805 . . . . 0.0 112.215 -172.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 59.52 -26.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.392 3.477 . . . . 0.0 116.603 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.29 9.31 15.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.703 1.601 . . . . 0.0 111.306 -172.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -135.82 163.59 29.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.85 147.19 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 126.01 1.724 . . . . 0.0 109.03 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -139.55 -168.35 2.46 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.358 2.263 . . . . 0.0 108.415 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.7 m -122.72 146.06 47.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 153.71 47.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 124.673 1.189 . . . . 0.0 109.712 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -73.39 128.17 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.74 -33.96 72.33 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.274 0.943 . . . . 0.0 109.961 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -54.04 -17.21 2.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 114.441 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.97 11.96 15.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.924 0.89 . . . . 0.0 111.708 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -120.33 153.92 23.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.567 1.547 . . . . 0.0 109.449 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.36 118.78 32.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 139.39 40.62 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.58 143.13 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.755 1.222 . . . . 0.0 108.366 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.58 36.02 19.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.641 1.576 . . . . 0.0 113.186 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 p -108.76 168.84 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.899 0.88 . . . . 0.0 110.59 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.15 151.71 46.36 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 110.417 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.47 -41.87 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.245 1.018 . . . . 0.0 111.906 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.65 -28.78 61.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.078 0.854 . . . . 0.0 111.086 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.2 m -69.8 -50.6 41.42 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -45.6 88.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.14 -37.85 88.96 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.543 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.73 95.13 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.445 1.02 . . . . 0.0 110.377 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -68.01 -43.88 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.8 94.38 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.069 0.547 . . . . 0.0 110.359 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.02 -35.76 80.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.471 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -61.13 -46.48 90.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.967 0.803 . . . . 0.0 110.565 170.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.68 -45.61 92.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.061 -0.399 . . . . 0.0 109.971 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.05 -38.93 92.43 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.817 0.447 . . . . 0.0 111.0 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.92 -45.66 91.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 119.352 0.978 . . . . 0.0 110.596 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.43 -42.78 95.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.534 0.734 . . . . 0.0 111.72 174.432 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.94 -19.41 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.432 1.493 . . . . 0.0 110.565 171.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -115.28 153.26 31.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.412 1.085 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -46.25 -38.85 9.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.41 1.484 . . . . 0.0 112.813 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.06 -39.58 72.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.876 0.762 . . . . 0.0 109.38 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.09 -41.13 74.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -61.45 -40.51 94.74 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.055 173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.16 96.91 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.898 -0.573 . . . . 0.0 110.535 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.18 -43.17 92.53 Favored 'General case' 0 C--N 1.337 0.06 0 CA-C-N 118.822 0.737 . . . . 0.0 111.417 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.49 -54.12 36.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.211 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -52.42 -56.4 15.28 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.476 0.71 . . . . 0.0 110.43 172.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -53.99 -48.5 70.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.56 0.744 . . . . 0.0 111.523 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.06 -51.08 68.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.097 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -38.01 77.92 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.389 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.66 -53.75 30.62 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -172.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.76 -38.47 88.13 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.98 0.809 . . . . 0.0 111.532 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.28 -27.6 69.45 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -85.38 -32.18 22.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.856 0.863 . . . . 0.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.2 122.86 14.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.053 0.842 . . . . 0.0 109.1 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -81.31 47.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.937 1.295 . . . . 0.0 109.327 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -67.07 156.98 86.45 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.587 1.155 . . . . 0.0 112.061 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -64.98 155.34 76.52 Favored 'Cis proline' 0 C--N 1.351 0.678 0 CA-C-N 119.42 0.829 . . . . 0.0 111.558 -10.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.7 -169.36 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.964 1.305 . . . . 0.0 108.459 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptm -130.97 169.47 15.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 122.067 0.937 . . . . 0.0 111.692 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.44 -177.42 38.95 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.98 124.78 51.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 169.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.55 104.8 7.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 169.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -85.02 52.45 2.44 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.761 1.624 . . . . 0.0 108.495 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt . . . . . 0 CA--C 1.52 -0.178 0 C-N-CA 123.949 0.9 . . . . 0.0 109.401 -169.478 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.13 115.44 16.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -128.49 126.2 39.98 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.4 m -72.99 135.01 44.9 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.23 157.42 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.479 0.712 . . . . 0.0 111.104 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.98 118.13 35.63 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.29 119.72 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -86.64 -21.32 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -169.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 179.09 23.42 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 107.31 -2.316 . . . . 0.0 107.31 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -61.93 151.18 35.53 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 169.82 4.13 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.769 0.828 . . . . 0.0 109.855 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -50.51 152.58 8.74 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.396 2.064 . . . . 0.0 112.126 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.58 -28.82 65.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.639 0.376 . . . . 0.0 111.146 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.48 -34.17 73.65 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.712 0.805 . . . . 0.0 111.891 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.31 -43.14 17.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.941 -0.474 . . . . 0.0 110.027 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.3 m -77.31 14.63 0.9 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.64 -10.01 59.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.752 1.221 . . . . 0.0 112.446 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -134.0 -24.73 1.65 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.526 0.73 . . . . 0.0 112.941 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -160.59 161.65 32.61 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -80.54 117.98 21.73 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -125.83 152.87 44.9 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.325 1.05 . . . . 0.0 109.486 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.24 141.55 45.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.919 0.888 . . . . 0.0 109.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.73 141.65 39.18 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.42 130.53 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.86 133.73 41.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -89.81 70.38 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.912 0.485 . . . . 0.0 110.968 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.85 -13.86 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 -31.64 11.13 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.229 0.918 . . . . 0.0 112.113 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.86 -20.81 3.35 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.399 -1.223 . . . . 0.0 115.243 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -139.49 -41.94 0.45 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.612 1.706 . . . . 0.0 112.128 -175.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.49 -27.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.338 3.055 . . . . 0.0 115.399 -170.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -107.42 5.91 27.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 111.979 -172.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -138.25 162.81 33.35 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.679 0.791 . . . . 0.0 111.264 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.0 p -135.36 149.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.319 1.847 . . . . 0.0 110.115 -169.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -141.93 -172.23 3.52 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.262 2.225 . . . . 0.0 108.203 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -122.63 148.11 45.64 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 170.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 156.09 49.29 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.441 1.096 . . . . 0.0 110.047 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 132.2 44.14 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 173.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.49 -34.16 73.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.994 0.815 . . . . 0.0 110.035 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -56.96 -15.48 5.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.0 2.12 . . . . 0.0 114.335 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -118.72 13.78 13.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.296 1.038 . . . . 0.0 111.379 -169.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -124.69 155.02 32.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 125.705 1.602 . . . . 0.0 109.173 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -124.26 119.12 28.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.79 138.64 38.3 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.4 mt -131.37 147.14 32.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 108.426 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.79 40.31 24.24 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.538 1.535 . . . . 0.0 112.77 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.05 168.15 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 110.483 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.21 151.71 46.4 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.592 0.757 . . . . 0.0 110.358 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.85 -41.85 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.245 1.018 . . . . 0.0 111.802 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -73.62 -29.07 62.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.103 0.865 . . . . 0.0 111.169 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.6 m -69.48 -50.8 41.96 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -45.92 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.16 -37.01 85.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.682 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.7 97.82 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.891 1.223 . . . . 0.0 110.543 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.9 -44.33 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.5 85.54 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.181 0.593 . . . . 0.0 110.467 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.71 -37.74 85.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.892 0.477 . . . . 0.0 111.786 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -61.14 -46.49 90.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.578 0.627 . . . . 0.0 110.387 171.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.37 -43.09 99.64 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.567 0.347 . . . . 0.0 110.08 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.32 -47.28 84.96 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.457 0.703 . . . . 0.0 110.219 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.09 -45.89 75.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.948 0.795 . . . . 0.0 110.795 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.36 -44.31 95.18 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 123.938 0.895 . . . . 0.0 112.272 178.052 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.332 0 CA-C-O 121.255 0.55 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -141.53 -8.93 0.96 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.402 1.081 . . . . 0.0 112.492 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -143.67 156.46 44.55 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.125 1.37 . . . . 0.0 108.668 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -52.32 -37.87 57.0 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.91 -37.28 75.9 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.72 1.145 . . . . 0.0 109.857 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -70.07 -39.97 75.32 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.771 -0.58 . . . . 0.0 109.448 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -59.97 -42.73 94.77 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.863 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.64 92.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.307 0.503 . . . . 0.0 110.768 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -69.99 -37.86 75.83 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.934 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 -48.63 85.1 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -57.35 -52.56 64.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.592 0.757 . . . . 0.0 111.119 172.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.9 -46.89 78.24 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.886 0.474 . . . . 0.0 110.363 -176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -58.24 -56.71 18.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.037 0.935 . . . . 0.0 110.521 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.17 -37.16 75.1 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.135 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.57 -50.09 66.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.687 0.676 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.85 -39.2 84.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.646 0.657 . . . . 0.0 110.873 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.16 -22.72 65.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -97.52 -34.81 10.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.926 0.89 . . . . 0.0 111.623 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.5 117.38 4.81 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.48 51.68 1.71 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.761 0.824 . . . . 0.0 109.065 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -61.86 157.51 49.51 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 111.691 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.91 155.06 91.06 Favored 'Cis proline' 0 C--N 1.35 0.609 0 CA-C-N 119.279 0.778 . . . . 0.0 111.222 -9.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.15 -169.46 3.12 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.083 1.353 . . . . 0.0 108.206 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.79 165.82 24.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.643 1.11 . . . . 0.0 112.079 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.09 -179.96 37.93 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.292 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -115.56 123.58 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.18 106.1 8.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 169.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -82.61 50.42 1.66 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.259 1.824 . . . . 0.0 108.695 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 N--CA 1.463 0.225 0 C-N-CA 124.637 1.175 . . . . 0.0 109.894 -169.361 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.41 102.92 6.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -169.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -109.63 109.49 20.26 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.689 1.196 . . . . 0.0 108.794 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -64.45 133.09 51.78 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.73 145.35 25.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.354 0.662 . . . . 0.0 110.924 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.67 125.05 42.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -98.31 114.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -173.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.66 -26.98 34.28 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.515 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.7 -175.82 33.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mmm -64.23 153.36 38.26 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.245 0.545 . . . . 0.0 110.488 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.56 171.62 4.92 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.279 1.031 . . . . 0.0 109.986 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.12 150.14 10.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.764 2.309 . . . . 0.0 112.395 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.27 -27.26 65.65 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.124 0.57 . . . . 0.0 111.636 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.11 -33.82 76.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.47 0.708 . . . . 0.0 111.904 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -76.53 -43.77 37.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -75.49 8.18 3.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -170.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.7 -4.96 57.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.482 1.113 . . . . 0.0 113.03 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -142.94 -20.76 0.65 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -160.25 150.04 17.94 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -80.26 121.98 26.31 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.277 1.399 . . . . 0.0 110.193 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -123.74 151.91 42.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.396 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.22 146.89 28.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.228 1.011 . . . . 0.0 109.043 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.63 137.58 35.44 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.75 131.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.484 0.713 . . . . 0.0 110.074 -172.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.3 134.74 40.19 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -83.1 64.66 7.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.468 1.107 . . . . 0.0 110.611 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.0 pt -58.89 -18.0 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.491 -0.756 . . . . 0.0 112.383 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.47 1.81 88.49 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.247 1.403 . . . . 0.0 113.243 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.23 -92.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 CA-C-N 119.358 1.579 . . . . 0.0 111.475 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -59.7 -37.19 78.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.834 0.817 . . . . 0.0 112.339 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.02 -24.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 129.797 3.239 . . . . 0.0 115.748 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.22 11.46 12.32 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.248 1.819 . . . . 0.0 111.154 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -135.12 162.66 31.88 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.203 1.001 . . . . 0.0 110.342 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.46 150.19 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.711 1.604 . . . . 0.0 110.494 -168.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -141.12 -172.78 3.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.7 2.4 . . . . 0.0 108.12 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 m -120.41 148.43 43.79 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.34 48.4 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.367 1.067 . . . . 0.0 109.486 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 129.03 37.42 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 171.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.63 -30.62 69.98 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.003 0.365 . . . . 0.0 110.525 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -50.89 -24.89 3.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.084 2.154 . . . . 0.0 113.614 171.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -110.96 12.7 22.14 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.194 0.998 . . . . 0.0 111.525 -169.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.93 154.35 26.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 125.277 1.431 . . . . 0.0 109.534 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -125.41 118.47 25.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.36 139.63 42.52 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.28 139.52 51.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.546 1.138 . . . . 0.0 108.576 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 51.83 36.14 17.28 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.676 1.59 . . . . 0.0 113.084 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.21 165.58 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.633 0.773 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 157.91 33.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 123.49 0.716 . . . . 0.0 110.904 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.67 -41.64 81.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.466 -176.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.68 -40.54 72.89 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.143 0.883 . . . . 0.0 110.44 -175.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.2 m -60.09 -51.23 70.5 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.823 0.849 . . . . 0.0 109.89 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.26 -47.14 86.46 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.44 -34.89 77.68 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.488 0.715 . . . . 0.0 111.843 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.16 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.686 0.676 . . . . 0.0 110.909 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.62 -43.18 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.24 76.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.981 0.513 . . . . 0.0 110.168 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.19 -42.86 99.68 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.037 0.38 . . . . 0.0 111.739 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -60.18 -46.1 90.86 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.591 0.356 . . . . 0.0 110.184 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.17 -43.58 97.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.037 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -60.41 -53.22 60.21 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.328 0.513 . . . . 0.0 109.71 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -55.94 -44.82 78.77 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.582 0.753 . . . . 0.0 111.03 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.14 -42.98 99.58 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 -173.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 123.42 0.688 . . . . 0.0 111.967 177.667 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.6 -12.68 57.52 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -143.47 151.28 40.13 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.119 0.968 . . . . 0.0 109.898 -169.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -30.46 26.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.63 -42.77 61.01 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.565 1.075 . . . . 0.0 108.624 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.73 -36.62 84.89 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.771 -0.581 . . . . 0.0 109.696 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -69.53 -33.61 73.05 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.49 -0.756 . . . . 0.0 110.747 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.23 95.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.515 0.598 . . . . 0.0 110.016 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.1 mmt -65.12 -39.62 93.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.821 0.737 . . . . 0.0 111.622 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.55 77.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.83 -53.76 51.14 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.016 0.526 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -57.26 -46.06 83.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.439 0.696 . . . . 0.0 110.327 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -58.57 -55.07 39.74 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 110.284 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -35.52 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.771 -0.771 . . . . 0.0 110.448 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.26 -49.81 68.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.549 0.613 . . . . 0.0 109.86 -177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.92 -39.94 87.19 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.284 0.633 . . . . 0.0 110.851 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.32 -25.02 66.63 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.1 m -95.41 -36.15 11.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.573 0.749 . . . . 0.0 111.621 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.69 119.3 8.42 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -84.12 51.83 2.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.743 0.817 . . . . 0.0 109.248 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -61.93 158.12 45.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 124.547 1.139 . . . . 0.0 111.987 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.76 155.73 90.23 Favored 'Cis proline' 0 C--N 1.35 0.657 0 CA-C-N 119.458 0.842 . . . . 0.0 111.727 -7.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -143.8 -168.85 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.377 1.471 . . . . 0.0 108.284 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.39 169.02 17.86 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.039 -1.038 . . . . 0.0 111.752 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.85 -177.79 39.41 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-O 122.174 0.874 . . . . 0.0 111.345 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.63 122.93 47.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.3 106.86 9.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 169.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.81 49.99 1.72 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.598 1.559 . . . . 0.0 108.404 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.227 -0.1 0 C-N-CA 124.811 1.244 . . . . 0.0 110.729 -168.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -128.32 112.59 14.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -118.07 121.28 40.19 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -70.11 131.73 44.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.74 146.81 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.964 0.506 . . . . 0.0 110.644 -174.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.75 118.0 32.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.31 107.82 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.01 -29.69 60.93 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.242 0.617 . . . . 0.0 111.577 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.6 178.31 32.5 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 107.605 -2.198 . . . . 0.0 107.605 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mtp -63.58 151.44 41.54 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 122.149 -0.618 . . . . 0.0 110.226 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.79 168.21 9.37 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.405 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.08 152.55 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.56 2.173 . . . . 0.0 112.338 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -58.56 -28.58 65.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.826 0.45 . . . . 0.0 111.204 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.53 -28.99 70.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.836 0.854 . . . . 0.0 112.294 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -81.81 -42.99 18.91 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.63 20.16 0.24 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.281 1.032 . . . . 0.0 113.648 -174.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -15.51 62.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.762 2.025 . . . . 0.0 112.371 -175.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -148.83 -19.35 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -174.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -154.04 152.37 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 -175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -87.8 124.31 33.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 118.999 0.818 . . . . 0.0 109.143 -173.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -127.1 154.57 44.55 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.328 1.051 . . . . 0.0 109.778 -175.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.29 144.66 32.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.979 0.911 . . . . 0.0 109.008 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.19 141.83 38.38 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.81 138.17 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -169.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.03 135.99 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.55 64.7 8.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 111.415 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.1 pt -58.19 -19.01 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 O-C-N 121.637 -0.664 . . . . 0.0 112.609 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.29 -2.62 87.61 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.917 1.246 . . . . 0.0 113.12 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.93 -96.47 0.13 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 119.255 1.528 . . . . 0.0 111.156 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 117.782 0.791 . . . . 0.0 112.503 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.64 -24.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 130.007 3.323 . . . . 0.0 115.953 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.68 11.22 12.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.179 1.792 . . . . 0.0 111.049 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -133.91 162.67 31.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 110.601 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.15 148.95 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.883 1.673 . . . . 0.0 110.381 -168.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.48 -175.25 4.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.285 2.234 . . . . 0.0 108.279 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.0 m -119.15 144.42 46.67 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 169.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.32 152.08 51.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.689 1.196 . . . . 0.0 109.284 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 131.06 42.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 172.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.94 -33.75 73.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.101 0.864 . . . . 0.0 109.882 172.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -56.1 -16.93 5.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.158 2.183 . . . . 0.0 113.84 174.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -117.1 15.12 15.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.722 1.209 . . . . 0.0 111.041 -171.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.37 153.87 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.403 1.481 . . . . 0.0 109.593 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -121.15 118.93 30.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.566 -2.012 . . . . 0.0 105.566 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.44 140.06 38.68 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -130.29 141.3 46.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.882 1.273 . . . . 0.0 107.909 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.44 24.7 8.78 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.692 1.597 . . . . 0.0 113.798 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.06 163.61 3.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.221 1.008 . . . . 0.0 111.908 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.54 157.07 38.65 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.367 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.17 -43.71 78.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.706 0.802 . . . . 0.0 112.077 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.43 -29.16 61.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.261 0.937 . . . . 0.0 110.824 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 69.8 m -68.21 -50.39 54.43 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.71 -48.37 79.76 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.346 0.659 . . . . 0.0 109.86 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.77 -35.27 80.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.459 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.78 91.44 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.588 1.085 . . . . 0.0 110.623 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.78 -45.01 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.94 91.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.146 0.578 . . . . 0.0 110.139 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.71 -38.92 90.53 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.847 0.459 . . . . 0.0 111.003 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -60.09 -48.98 79.47 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.393 0.542 . . . . 0.0 110.735 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.88 -45.38 94.81 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -62.56 -46.68 87.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.204 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -57.87 -45.14 86.76 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.643 1.11 . . . . 0.0 110.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.0 -42.34 97.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 123.691 0.796 . . . . 0.0 112.383 176.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.32 4.16 2.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.725 0.81 . . . . 0.0 111.805 -172.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -138.69 149.53 45.22 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 108.533 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -52.6 -36.51 56.35 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.42 -42.77 74.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.637 1.108 . . . . 0.0 109.416 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.57 -37.56 79.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.199 0.599 . . . . 0.0 109.614 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -72.23 -29.69 64.19 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.307 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.5 96.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.408 1.004 . . . . 0.0 109.489 169.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.61 -40.16 92.31 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.722 -0.656 . . . . 0.0 111.5 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -50.88 61.61 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.264 0.938 . . . . 0.0 111.534 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -53.27 -53.4 51.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.457 0.703 . . . . 0.0 110.32 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -55.6 -47.44 76.49 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.466 0.706 . . . . 0.0 111.407 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.97 -50.69 65.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.905 0.775 . . . . 0.0 110.259 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -35.79 75.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.201 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.27 -52.2 63.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.436 0.562 . . . . 0.0 109.925 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.95 -40.99 86.36 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.283 0.633 . . . . 0.0 110.833 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.64 -25.2 67.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.2 m -93.32 -37.53 11.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.912 0.885 . . . . 0.0 111.714 -175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.74 122.29 13.18 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -82.09 48.77 1.29 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.093 1.357 . . . . 0.0 109.523 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -63.88 154.77 80.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.025 0.93 . . . . 0.0 111.529 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.15 152.85 91.17 Favored 'Cis proline' 0 CA--C 1.538 0.695 0 CA-C-N 119.27 0.775 . . . . 0.0 111.481 -8.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.05 -168.5 2.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.483 1.513 . . . . 0.0 108.418 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.5 ptm -135.23 166.76 22.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.516 1.053 . . . . 0.0 111.746 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.29 -178.34 38.94 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.172 0.873 . . . . 0.0 111.621 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.64 119.65 36.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 170.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.43 111.21 11.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 169.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -82.44 49.61 1.48 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.368 1.467 . . . . 0.0 108.45 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 CA--C 1.519 -0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 109.632 -169.453 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -82.12 95.98 7.65 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -98.47 117.86 33.85 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -69.32 133.11 47.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.67 145.84 26.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.409 0.684 . . . . 0.0 110.843 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.41 117.61 32.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -88.18 109.73 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.96 -29.84 50.01 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.248 0.619 . . . . 0.0 111.893 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.22 177.48 32.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.505 -2.238 . . . . 0.0 107.505 -174.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.76 150.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.064 -0.668 . . . . 0.0 110.55 172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.81 168.49 8.66 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.105 0.962 . . . . 0.0 109.647 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.51 145.25 12.43 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.613 2.208 . . . . 0.0 112.098 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -28.17 63.63 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.281 0.632 . . . . 0.0 111.271 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.68 -35.36 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.198 0.999 . . . . 0.0 112.357 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -79.46 -37.29 37.26 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.326 0.512 . . . . 0.0 110.293 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.9 m -76.01 15.05 0.59 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -9.33 58.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.645 1.578 . . . . 0.0 112.563 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -137.35 -34.14 0.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.043 0.937 . . . . 0.0 112.771 -169.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -157.31 156.52 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -85.14 129.63 34.76 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.507 1.049 . . . . 0.0 109.225 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 154.23 46.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.227 1.011 . . . . 0.0 109.868 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.98 145.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 124.285 1.034 . . . . 0.0 109.125 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.16 140.86 37.65 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.08 136.62 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -172.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.09 133.71 42.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -83.04 67.75 9.24 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.772 0.829 . . . . 0.0 110.072 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 pt -60.18 -10.97 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.653 0.781 . . . . 0.0 113.035 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.02 -12.37 57.76 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 118.301 -1.277 . . . . 0.0 113.224 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.13 -22.95 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 CA-C-N 119.553 1.677 . . . . 0.0 116.02 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -137.89 -40.21 0.55 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.544 1.672 . . . . 0.0 111.446 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 59.69 -28.9 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.408 3.083 . . . . 0.0 115.227 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -105.53 5.48 31.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.656 1.582 . . . . 0.0 112.06 -172.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -134.73 161.32 35.48 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.66 0.784 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -131.59 147.58 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.107 1.763 . . . . 0.0 110.054 -168.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -139.46 -172.23 3.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.63 2.372 . . . . 0.0 108.151 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -120.03 147.5 44.72 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.1 51.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.988 1.315 . . . . 0.0 109.628 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -71.86 125.37 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.36 -36.74 78.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.107 0.867 . . . . 0.0 108.942 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 m -54.29 -11.01 0.44 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 129.23 3.012 . . . . 0.0 114.202 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -125.28 13.44 8.27 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.651 1.18 . . . . 0.0 111.676 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.7 154.98 15.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 125.522 1.529 . . . . 0.0 109.128 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.11 118.17 29.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 173.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.51 137.96 38.18 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.5 mt -129.12 136.75 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.66 1.184 . . . . 0.0 108.112 -176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 58.53 23.59 10.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.757 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.48 165.45 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.399 1.079 . . . . 0.0 112.141 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.1 156.69 38.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.02 -44.25 82.66 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.6 0.76 . . . . 0.0 112.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.25 -28.76 62.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.105 0.866 . . . . 0.0 110.811 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.7 m -68.18 -50.41 54.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -46.69 84.77 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.099 0.559 . . . . 0.0 109.764 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.59 -37.19 86.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.157 0.583 . . . . 0.0 111.359 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.69 81.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.991 0.814 . . . . 0.0 110.222 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.38 -47.89 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.68 90.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.609 0.764 . . . . 0.0 110.612 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.68 -33.48 72.62 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.228 0.467 . . . . 0.0 111.641 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -63.63 -46.04 87.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.546 0.612 . . . . 0.0 110.506 170.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.03 -43.91 98.18 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.984 -0.448 . . . . 0.0 109.854 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.87 -48.38 80.77 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.47 0.708 . . . . 0.0 110.232 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -54.46 -44.55 72.66 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.092 0.957 . . . . 0.0 110.94 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.35 -45.32 88.31 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.626 0 C-N-CA 122.702 0.401 . . . . 0.0 111.688 -175.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.521 0.201 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.22 93.98 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.693 -0.629 . . . . 0.0 112.169 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m 56.95 9.72 0.66 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.226 1.81 . . . . 0.0 115.149 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.64 -30.22 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 110.051 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -141.57 144.84 34.46 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -148.15 0.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 112.818 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.64 138.09 49.91 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.22 -9.46 58.63 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -169.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 m -51.83 -47.71 64.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.838 1.654 . . . . 0.0 111.055 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -35.11 79.63 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.267 0.94 . . . . 0.0 111.239 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.13 -41.04 77.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.873 0.76 . . . . 0.0 110.422 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.19 -41.88 96.89 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.874 0.761 . . . . 0.0 110.594 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.77 -50.7 63.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.398 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 tt -61.7 -40.9 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 118.855 0.752 . . . . 0.0 109.97 -176.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -56.52 -38.56 72.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.627 1.171 . . . . 0.0 111.74 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.2 p -103.44 8.02 37.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.814 0.845 . . . . 0.0 112.547 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -136.96 -29.36 0.91 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.493 -0.765 . . . . 0.0 113.048 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -121.19 -32.48 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.628 1.104 . . . . 0.0 112.014 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 29.95 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.454 1.025 . . . . 0.0 111.65 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.86 -33.98 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.963 0.905 . . . . 0.0 112.665 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -96.28 7.51 46.28 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.556 1.142 . . . . 0.0 112.072 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.42 139.81 46.96 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.945 1.298 . . . . 0.0 108.992 -170.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.2 2.1 3.01 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.905 0.882 . . . . 0.0 111.688 -169.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -136.46 150.2 48.59 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.916 1.286 . . . . 0.0 108.697 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.83 -35.35 57.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.322 -0.847 . . . . 0.0 113.228 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.66 -44.88 80.67 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.686 1.13 . . . . 0.0 109.602 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -65.59 -40.99 93.3 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -71.44 -28.92 64.3 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.716 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.0 98.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.862 0.755 . . . . 0.0 109.22 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.48 -35.68 77.88 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.015 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.78 63.96 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.97 -51.96 64.54 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.392 0.677 . . . . 0.0 110.721 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.838 0.855 . . . . 0.0 110.668 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -56.26 -55.36 34.25 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.457 1.103 . . . . 0.0 110.522 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -36.09 73.5 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.26 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.99 -54.05 44.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.676 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.34 -38.7 84.61 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 118.798 0.726 . . . . 0.0 111.104 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.55 -24.94 67.77 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -93.57 -33.07 13.88 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.054 0.941 . . . . 0.0 111.707 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.21 122.0 12.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.45 49.2 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.905 1.282 . . . . 0.0 109.277 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -64.34 155.71 79.08 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 111.588 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -69.87 154.68 93.66 Favored 'Cis proline' 0 CA--C 1.538 0.691 0 CA-C-N 119.287 0.781 . . . . 0.0 111.162 -9.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -143.76 -167.88 2.7 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.22 1.408 . . . . 0.0 108.579 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 ptm -134.32 166.97 21.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 119.443 1.02 . . . . 0.0 111.958 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.9 -178.27 38.09 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-O 122.093 0.83 . . . . 0.0 111.458 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.82 122.6 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.3 106.79 9.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.27 47.87 1.31 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.027 1.731 . . . . 0.0 108.67 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.46 119.28 4.3 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.841 1.256 . . . . 0.0 110.977 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -90.41 -12.56 37.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.082 0.401 . . . . 0.0 111.749 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m -66.06 11.73 0.07 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.921 2.088 . . . . 0.0 115.973 -169.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -60.85 154.84 21.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 120.974 -1.079 . . . . 0.0 109.429 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -54.05 -37.38 64.09 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.186 0.594 . . . . 0.0 111.722 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -82.91 -0.4 48.24 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.533 1.133 . . . . 0.0 112.522 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m 59.35 12.96 2.89 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.364 1.866 . . . . 0.0 113.812 -171.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 147.31 48.43 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.352 -0.842 . . . . 0.0 108.787 172.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.04 142.92 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -127.46 152.93 46.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 127.093 2.157 . . . . 0.0 105.222 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.58 106.78 9.2 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -111.91 120.11 40.8 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -69.64 131.97 45.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.96 146.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.163 0.585 . . . . 0.0 110.721 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.95 126.83 41.47 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.34 111.19 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.45 -30.2 61.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.577 0.751 . . . . 0.0 111.063 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.38 -178.3 30.48 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 mtp -63.69 151.15 42.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 110.364 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.75 4.57 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.856 0.862 . . . . 0.0 109.981 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.59 137.35 33.23 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.487 2.125 . . . . 0.0 111.508 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.39 -29.95 64.51 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.667 0.787 . . . . 0.0 111.661 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.412 1.085 . . . . 0.0 112.813 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -85.51 -26.63 26.12 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.704 -0.622 . . . . 0.0 110.641 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -88.55 22.27 2.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.784 1.233 . . . . 0.0 113.05 -170.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.59 -7.71 46.13 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.806 1.243 . . . . 0.0 111.89 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -138.04 -28.96 0.85 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.438 1.095 . . . . 0.0 112.799 -169.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -154.03 149.49 27.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.4 mmt -76.95 84.08 3.49 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -78.29 153.38 31.83 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.24 -0.912 . . . . 0.0 110.878 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.74 145.09 31.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 124.898 1.279 . . . . 0.0 108.796 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.76 140.8 32.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -141.79 143.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.409 0.684 . . . . 0.0 109.974 -171.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.09 136.26 50.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 172.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.65 65.08 6.64 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 pt -58.9 -18.16 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 121.487 -0.758 . . . . 0.0 112.478 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.25 -3.76 88.58 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.889 1.233 . . . . 0.0 113.084 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.6 -97.04 0.14 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 119.194 1.497 . . . . 0.0 111.167 -174.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -60.59 -34.97 75.0 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.588 0.694 . . . . 0.0 112.541 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 60.35 -27.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 130.452 3.501 . . . . 0.0 116.556 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.45 7.53 22.77 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.424 1.49 . . . . 0.0 111.674 -170.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -137.09 164.66 27.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.969 0.908 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.9 147.15 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.569 1.548 . . . . 0.0 108.859 -169.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.76 -173.22 3.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.685 2.394 . . . . 0.0 107.863 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -123.26 147.22 47.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.19 157.52 46.14 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.946 1.298 . . . . 0.0 109.625 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 129.72 37.16 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.756 1.162 . . . . 0.0 109.355 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -54.19 -13.37 0.83 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.209 2.604 . . . . 0.0 114.068 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -124.5 14.62 8.84 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.252 1.421 . . . . 0.0 110.927 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.74 155.64 30.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.618 1.567 . . . . 0.0 109.591 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -124.94 119.11 27.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.8 40.41 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.4 mt -129.7 140.92 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.473 1.109 . . . . 0.0 108.524 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.57 35.87 19.1 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.759 1.624 . . . . 0.0 113.369 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 p -107.43 169.17 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.77 0.828 . . . . 0.0 110.833 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.05 152.26 45.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.911 0.885 . . . . 0.0 110.535 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.06 -42.18 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.147 0.979 . . . . 0.0 112.086 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -73.23 -28.49 62.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.197 0.908 . . . . 0.0 111.005 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.0 m -70.38 -50.81 34.96 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.14 89.17 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.48 -38.94 92.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.463 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.94 95.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 110.519 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.0 -47.08 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.606 0.763 . . . . 0.0 109.1 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.61 89.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.9 -35.98 79.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.965 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -60.69 -47.32 86.79 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.96 0.8 . . . . 0.0 110.156 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.92 -45.5 93.43 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.532 0.333 . . . . 0.0 110.108 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.17 -44.51 95.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.529 0.732 . . . . 0.0 110.574 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -58.63 -48.11 82.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.743 0.701 . . . . 0.0 109.989 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.7 -42.46 97.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.11 85.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.017 0.927 . . . . 0.0 112.175 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -66.24 -26.34 67.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.013 0.925 . . . . 0.0 111.406 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.13 125.18 0.99 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.17 67.56 2.48 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.512 1.125 . . . . 0.0 109.46 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.31 -38.63 74.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.279 -0.888 . . . . 0.0 109.431 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.3 p90 . . . . . 0 C--O 1.248 1.018 0 C-N-CA 128.22 2.608 . . . . 0.0 106.27 173.354 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.6 -22.54 61.71 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.18 -0.95 . . . . 0.0 112.303 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -56.74 -22.48 35.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.176 1.39 . . . . 0.0 114.646 -169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.06 -19.52 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 119.297 0.953 . . . . 0.0 111.992 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -58.67 -17.58 23.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.028 1.331 . . . . 0.0 112.79 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -54.3 -25.65 24.97 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.603 0.761 . . . . 0.0 112.332 171.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -78.47 69.4 4.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.094 0.95 . . . . 0.0 109.915 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.6 -26.48 68.0 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.726 -0.609 . . . . 0.0 111.974 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -62.0 -48.09 81.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.776 0.716 . . . . 0.0 109.456 173.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -63.52 -40.49 97.19 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.585 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.05 -48.26 80.62 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.102 0.864 . . . . 0.0 110.081 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -47.91 83.78 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.486 0.715 . . . . 0.0 110.934 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -70.63 -43.57 68.96 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 119.649 1.113 . . . . 0.0 110.897 -173.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tt -61.71 -43.36 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 119.344 0.974 . . . . 0.0 108.499 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -38.8 90.91 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.971 . . . . 0.0 112.183 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.13 -7.0 37.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -134.75 -27.83 1.27 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.26 0.937 . . . . 0.0 113.193 -169.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -114.43 -35.16 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 119.612 1.096 . . . . 0.0 112.017 -169.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.04 19.73 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.793 1.179 . . . . 0.0 111.612 174.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -36.98 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.777 0.831 . . . . 0.0 111.839 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.6 -18.34 54.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.401 1.08 . . . . 0.0 112.634 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.91 146.3 41.94 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.802 -0.561 . . . . 0.0 111.095 -173.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -130.03 -19.63 3.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.931 1.692 . . . . 0.0 110.291 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.16 148.79 43.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.775 1.23 . . . . 0.0 110.157 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -27.23 46.2 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.36 -42.02 79.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.444 1.475 . . . . 0.0 109.458 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.52 -36.47 82.79 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.407 0.683 . . . . 0.0 110.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -44.7 79.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.135 0.574 . . . . 0.0 110.595 171.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.06 87.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.184 0.447 . . . . 0.0 109.878 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.9 mmt -65.17 -39.05 92.37 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.611 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.97 -51.45 59.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 119.499 1.045 . . . . 0.0 111.275 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -54.94 -49.28 71.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.014 0.526 . . . . 0.0 110.862 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.17 -46.58 82.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.195 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.04 -51.34 64.63 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.918 0.781 . . . . 0.0 110.063 -171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -37.41 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.902 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.18 -50.4 68.25 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.823 0.738 . . . . 0.0 109.743 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.3 -41.61 89.42 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.473 0.709 . . . . 0.0 110.891 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.96 -25.71 67.24 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -93.31 -37.74 11.87 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 111.474 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.9 124.11 18.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.316 0.646 . . . . 0.0 109.408 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.69 50.76 1.01 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.638 1.975 . . . . 0.0 108.801 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -70.47 153.91 94.76 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 121.096 -1.002 . . . . 0.0 111.059 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 150.73 87.71 Favored 'Cis proline' 0 CA--C 1.537 0.635 0 CA-C-N 119.305 0.787 . . . . 0.0 110.427 -10.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -138.42 -172.26 3.24 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.908 1.283 . . . . 0.0 108.363 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.8 ptm -130.76 168.76 16.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 119.459 1.027 . . . . 0.0 111.565 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -176.96 39.32 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-O 122.174 0.874 . . . . 0.0 111.74 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -118.14 119.74 35.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -77.17 108.28 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -81.03 49.21 1.2 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.063 1.745 . . . . 0.0 108.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.96 118.92 5.45 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.558 1.143 . . . . 0.0 111.45 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.45 139.11 49.53 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 169.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 t -148.87 164.53 34.22 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.266 1.027 . . . . 0.0 109.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 60.06 171.02 0.08 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.571 1.948 . . . . 0.0 111.747 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -61.97 -27.16 68.66 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.103 -0.998 . . . . 0.0 111.241 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -73.23 -8.76 57.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.429 1.491 . . . . 0.0 112.905 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m 54.33 33.11 17.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.55 1.14 . . . . 0.0 112.059 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -56.53 131.43 48.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.779 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.28 136.92 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.57 151.81 38.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -128.63 94.47 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -169.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -98.58 119.73 37.79 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 m -70.03 134.47 48.31 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.26 155.15 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.911 0.484 . . . . 0.0 111.668 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -107.02 116.35 31.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.1 110.97 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.87 -30.66 56.33 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.079 0.552 . . . . 0.0 112.121 -169.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.37 -178.46 34.6 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.219 -1.952 . . . . 0.0 108.219 -174.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.42 149.28 48.75 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.365 -0.491 . . . . 0.0 110.411 173.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.12 171.21 6.94 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.225 1.01 . . . . 0.0 110.426 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.21 148.95 9.44 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.066 2.511 . . . . 0.0 112.736 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.41 -28.56 67.03 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.264 0.626 . . . . 0.0 111.859 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.46 -34.44 74.39 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.261 0.624 . . . . 0.0 111.611 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.67 -47.92 70.98 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.39 15.0 0.5 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -170.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.38 -11.79 60.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.116 0.871 . . . . 0.0 112.04 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.87 -19.61 0.81 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -155.48 151.54 27.84 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -77.57 81.2 4.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.07 149.12 35.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.22 142.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.248 1.019 . . . . 0.0 108.913 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.17 142.66 43.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 p -149.49 139.95 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -169.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.88 138.0 51.58 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.33 1.052 . . . . 0.0 108.851 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.35 66.72 9.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 124.426 1.09 . . . . 0.0 110.957 -170.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.4 pt -58.33 -19.01 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.64 -0.663 . . . . 0.0 112.561 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.43 88.61 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.839 1.209 . . . . 0.0 113.056 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.08 -94.71 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 119.167 1.484 . . . . 0.0 111.06 -174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -60.11 -36.63 77.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 117.758 0.779 . . . . 0.0 112.373 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 59.83 -25.45 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 130.387 3.475 . . . . 0.0 116.411 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -118.37 11.12 12.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.056 1.742 . . . . 0.0 111.11 -172.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.66 164.13 28.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.239 1.016 . . . . 0.0 110.33 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.4 p -135.39 149.62 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.656 1.583 . . . . 0.0 110.067 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.33 -171.35 3.18 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.459 2.303 . . . . 0.0 108.435 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.47 146.36 48.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.32 42.1 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.595 1.158 . . . . 0.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -82.7 125.5 31.3 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.58 -29.38 69.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.574 1.079 . . . . 0.0 111.271 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.415 ' N ' ' HE1' ' A' ' 116' ' ' TRP . 2.7 p -61.85 -20.88 64.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.967 1.307 . . . . 0.0 112.998 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -103.78 10.88 36.4 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.093 0.957 . . . . 0.0 111.343 -174.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.94 154.47 22.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.91 1.684 . . . . 0.0 108.941 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -120.95 117.88 28.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.84 139.45 40.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -129.65 143.3 41.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.041 1.337 . . . . 0.0 107.693 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.3 t70 56.61 23.36 7.63 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.672 1.589 . . . . 0.0 113.928 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.8 m -79.28 164.65 3.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.046 0.939 . . . . 0.0 111.65 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.35 157.08 38.71 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.37 169.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.92 -44.54 82.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.529 0.731 . . . . 0.0 111.823 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -73.09 -27.8 61.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.192 0.906 . . . . 0.0 110.927 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 53.6 m -69.35 -49.87 51.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 173.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.05 -46.14 85.85 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.549 0.613 . . . . 0.0 109.778 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.38 -36.48 83.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.215 0.606 . . . . 0.0 111.252 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.42 84.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.239 0.927 . . . . 0.0 110.571 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.25 -43.13 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.68 95.1 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.682 0.793 . . . . 0.0 110.665 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.2 -39.91 82.31 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.6 0.636 . . . . 0.0 111.607 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.415 ' HE1' ' N ' ' A' ' 98' ' ' SER . 2.7 t-105 -58.14 -44.72 87.98 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.226 0.61 . . . . 0.0 110.437 170.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.69 -45.26 93.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.91 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.21 -40.53 97.75 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.251 0.932 . . . . 0.0 111.559 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 119' ' ' TRP . 2.8 t90 -51.73 -65.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 169.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 -31.19 70.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.815 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.886 1.274 . . . . 0.0 112.944 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -70.83 -34.68 71.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.35 163.21 10.24 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 125.056 1.313 . . . . 0.0 111.611 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -85.15 -152.63 0.15 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.485 1.114 . . . . 0.0 108.805 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 51.16 56.66 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.483 1.513 . . . . 0.0 110.951 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.589 1.155 . . . . 0.0 109.798 177.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ttt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.57 -18.54 61.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.955 0.902 . . . . 0.0 112.121 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m 68.89 21.16 7.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.103 2.161 . . . . 0.0 111.958 -176.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.99 -3.57 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.831 1.252 . . . . 0.0 111.987 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -79.38 -173.45 3.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.603 1.161 . . . . 0.0 111.06 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 51.23 40.03 25.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.907 1.683 . . . . 0.0 113.114 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -147.56 99.54 3.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.5 -19.14 64.51 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.955 0.902 . . . . 0.0 112.8 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -55.66 -38.55 69.74 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.195 0.907 . . . . 0.0 110.545 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.61 -45.99 91.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.183 0.447 . . . . 0.0 110.281 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.31 -36.93 80.07 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.074 0.549 . . . . 0.0 110.86 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -65.7 -50.72 63.87 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -69.72 -42.63 73.74 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.693 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 tt -58.08 -49.32 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 119.477 1.035 . . . . 0.0 108.505 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.24 -41.91 97.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.341 1.057 . . . . 0.0 111.554 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 p -89.77 -9.27 49.88 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.032 -171.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -132.65 -41.38 0.95 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.901 1.228 . . . . 0.0 112.885 -170.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.5 mt -93.55 -33.68 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 118.807 0.73 . . . . 0.0 109.896 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.49 12.14 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.617 0.767 . . . . 0.0 112.162 -170.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.03 -34.53 49.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 123.854 0.862 . . . . 0.0 111.923 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -82.39 2.14 33.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.341 1.456 . . . . 0.0 112.796 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.6 152.6 51.58 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.779 1.231 . . . . 0.0 110.443 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.8 -2.49 2.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.312 0.645 . . . . 0.0 112.733 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -135.41 148.66 49.41 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.737 1.215 . . . . 0.0 108.62 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -48.89 -38.26 22.08 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.1 -43.35 74.68 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.427 1.012 . . . . 0.0 109.573 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.59 -35.21 75.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.634 0.774 . . . . 0.0 109.94 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -72.34 -30.9 65.18 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.187 -0.945 . . . . 0.0 110.911 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.3 86.12 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.796 0.725 . . . . 0.0 109.637 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.9 -36.76 83.0 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.531 -0.731 . . . . 0.0 111.603 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -53.34 39.48 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.3 0.954 . . . . 0.0 111.141 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -51.62 -54.45 27.68 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.42 0.688 . . . . 0.0 110.606 171.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -54.78 -48.4 72.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.26 0.624 . . . . 0.0 110.88 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.29 -53.3 57.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.63 0.65 . . . . 0.0 110.118 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -35.06 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.49 -176.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.22 -51.53 63.25 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.434 0.561 . . . . 0.0 109.62 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.04 -39.08 84.7 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.493 0.717 . . . . 0.0 110.96 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.43 -26.57 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.9 m -88.78 -40.36 13.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.484 0.713 . . . . 0.0 111.348 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 130.68 47.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 109.695 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.81 20.2 0.47 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.526 1.53 . . . . 0.0 112.591 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -45.7 146.57 1.82 Allowed Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.87 1.668 . . . . 0.0 114.977 -168.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -61.38 151.93 57.43 Favored 'Cis proline' 0 CA--C 1.539 0.759 0 CA-C-N 118.954 0.662 . . . . 0.0 113.19 -10.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -141.79 -171.56 3.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.474 1.51 . . . . 0.0 107.934 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ptm -131.26 167.34 19.37 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.999 1.272 . . . . 0.0 112.415 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.98 -177.25 39.12 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 121.78 0.656 . . . . 0.0 112.05 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.35 120.41 39.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -77.49 108.25 10.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -79.55 53.55 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.583 1.553 . . . . 0.0 109.889 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.68 116.07 2.92 Favored 'General case' 0 CA--C 1.523 -0.075 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -171.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.8 129.99 41.83 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 m -59.95 152.27 24.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.469 0.708 . . . . 0.0 109.247 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.06 114.18 1.03 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.429 1.092 . . . . 0.0 111.534 -169.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 43.24 40.27 2.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.027 1.731 . . . . 0.0 112.708 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 t -147.66 163.27 37.18 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.716 -0.615 . . . . 0.0 109.368 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -71.47 -22.54 61.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.103 0.961 . . . . 0.0 113.131 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -60.12 153.07 22.73 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.968 1.307 . . . . 0.0 110.849 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mt -124.05 146.87 28.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.815 1.246 . . . . 0.0 107.869 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -116.86 141.03 48.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.05 100.66 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -169.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -105.52 119.72 39.83 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -70.36 132.14 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.84 153.91 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.993 0.517 . . . . 0.0 111.842 -171.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -104.43 125.5 50.69 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 168.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.43 108.78 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.7 -29.01 58.85 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 111.717 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.49 -178.72 33.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.99 149.74 46.71 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.427 -0.454 . . . . 0.0 109.943 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.3 175.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 123.335 0.654 . . . . 0.0 110.212 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.3 143.07 20.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.344 2.696 . . . . 0.0 113.246 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.7 -39.07 64.87 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 125.002 1.321 . . . . 0.0 110.228 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.57 -36.16 82.97 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.229 1.012 . . . . 0.0 111.858 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -72.99 -37.07 67.15 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.77 13.21 1.39 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.29 -5.39 39.23 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.429 1.092 . . . . 0.0 111.745 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -141.0 -22.79 0.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.094 0.958 . . . . 0.0 113.226 -169.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -158.32 157.76 33.07 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.503 1.047 . . . . 0.0 108.942 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -84.88 81.9 8.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.073 0.851 . . . . 0.0 109.061 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.6 149.05 33.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.014 0.526 . . . . 0.0 110.189 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 m -133.84 143.66 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.328 1.051 . . . . 0.0 109.0 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.99 141.26 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.9 138.88 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.96 54.05 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.169 0.988 . . . . 0.0 108.525 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -80.68 67.54 6.59 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.021 1.328 . . . . 0.0 109.73 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.85 -12.08 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 121.051 -1.031 . . . . 0.0 112.855 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.93 -3.84 59.03 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.33 -1.261 . . . . 0.0 113.132 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.01 -6.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.917 0 CA-C-N 119.673 1.737 . . . . 0.0 116.943 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -140.43 -45.51 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.311 2.055 . . . . 0.0 109.298 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 58.47 -26.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.694 3.198 . . . . 0.0 115.524 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.97 6.06 24.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.62 1.568 . . . . 0.0 112.054 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -137.08 162.61 32.88 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.589 0.756 . . . . 0.0 111.102 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.9 t -135.24 150.78 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.642 1.577 . . . . 0.0 109.169 -169.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.76 -170.11 2.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.842 2.457 . . . . 0.0 107.977 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 m -123.41 147.66 46.89 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.82 161.42 37.28 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 124.563 1.145 . . . . 0.0 110.135 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 126.85 31.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 171.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.57 -31.09 65.8 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.288 0.494 . . . . 0.0 110.497 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -54.61 -17.6 3.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.769 2.027 . . . . 0.0 113.883 173.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.77 13.87 16.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.338 1.055 . . . . 0.0 111.846 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -121.86 154.05 26.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 125.427 1.491 . . . . 0.0 109.427 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -119.67 120.6 37.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 170.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.46 139.9 41.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -128.07 144.7 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.929 1.292 . . . . 0.0 108.166 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.86 26.93 12.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 113.5 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m -90.55 164.56 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.091 0.956 . . . . 0.0 111.45 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.39 157.71 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.01 1.324 . . . . 0.0 109.346 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.2 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.118 0.967 . . . . 0.0 112.14 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.41 -36.2 71.25 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.356 0.98 . . . . 0.0 110.923 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.8 m -63.71 -51.11 66.47 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.702 0.801 . . . . 0.0 109.014 173.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.86 -44.95 93.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -63.34 -36.6 84.22 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.402 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.28 90.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.357 0.98 . . . . 0.0 110.252 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.4 -43.09 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.62 96.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.443 0.697 . . . . 0.0 110.383 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.91 -35.43 76.83 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.153 0.433 . . . . 0.0 111.475 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.27 -46.56 89.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.391 0.541 . . . . 0.0 110.176 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.58 -41.84 99.19 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.94 -0.475 . . . . 0.0 110.526 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -62.73 -45.76 91.24 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.302 0.501 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.2 -38.43 79.86 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.917 0.78 . . . . 0.0 111.732 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -50.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.14 85.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.463 0.705 . . . . 0.0 112.349 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.38 -26.88 68.2 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.265 1.026 . . . . 0.0 111.596 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.61 -20.91 0.07 OUTLIER Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.348 -1.807 . . . . 0.0 117.0 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 t80 43.08 51.89 5.45 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.02 1.91 . . . . 0.0 113.258 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.86 -26.82 65.34 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 128.928 2.891 . . . . 0.0 105.806 179.021 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtm . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.66 45.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -67.56 -6.64 20.92 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -48.51 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.325 1.45 . . . . 0.0 110.654 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 52.62 27.7 5.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.308 1.843 . . . . 0.0 113.863 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -68.03 9.51 0.29 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.36 143.54 39.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.23 0.923 . . . . 0.0 109.373 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.69 -25.83 55.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.852 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 t -61.01 -39.88 91.41 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.793 1.178 . . . . 0.0 110.605 176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -65.4 -45.66 83.12 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.775 1.171 . . . . 0.0 109.379 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.73 -42.66 97.74 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.9 -51.75 66.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.4 1.08 . . . . 0.0 111.027 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -64.16 -46.91 81.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.607 -0.683 . . . . 0.0 110.42 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 tt -61.03 -41.73 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -60.6 -48.83 80.04 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.945 0.898 . . . . 0.0 110.249 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.5 p -90.6 13.2 16.58 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -135.94 -47.4 0.66 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.69 -28.42 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.358 0.981 . . . . 0.0 111.857 -169.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 pt -135.84 22.09 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -167.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 m -56.53 -34.69 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.296 0.639 . . . . 0.0 112.597 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.78 1.7 45.55 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.227 1.011 . . . . 0.0 112.549 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.51 155.73 45.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.083 0.953 . . . . 0.0 110.92 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.92 2.12 1.72 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.004 0.922 . . . . 0.0 112.728 -173.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -129.38 145.64 51.37 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.182 1.393 . . . . 0.0 107.827 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -36.14 33.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.47 -43.97 62.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.768 1.167 . . . . 0.0 109.129 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -66.56 -34.68 78.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.226 0.61 . . . . 0.0 109.967 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -73.23 -31.37 64.1 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 121.022 -1.049 . . . . 0.0 111.248 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.46 87.2 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.287 0.949 . . . . 0.0 109.389 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.6 -37.92 85.92 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.756 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.5 -52.8 45.49 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 120.032 1.287 . . . . 0.0 111.37 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -54.47 -48.71 71.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.577 0.751 . . . . 0.0 110.861 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -57.34 -47.76 80.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.157 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -62.28 -52.49 63.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.554 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.6 -36.93 76.65 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.911 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.53 -49.22 69.75 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.484 0.583 . . . . 0.0 109.966 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.2 -38.47 83.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.734 0.814 . . . . 0.0 110.922 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -25.1 64.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -95.59 -36.56 11.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.396 0.678 . . . . 0.0 111.829 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.36 118.18 6.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -83.99 51.93 2.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.567 0.747 . . . . 0.0 109.102 174.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -61.87 158.06 45.7 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 124.68 1.192 . . . . 0.0 111.756 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.83 156.8 89.96 Favored 'Cis proline' 0 C--N 1.35 0.624 0 CA-C-N 119.496 0.856 . . . . 0.0 111.637 -7.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.39 -170.4 3.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.103 1.361 . . . . 0.0 108.759 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.21 170.24 15.29 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 119.373 0.988 . . . . 0.0 111.441 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.02 -177.34 39.73 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-O 122.158 0.866 . . . . 0.0 112.542 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -118.94 118.82 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 169.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.23 109.08 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -78.1 55.76 1.53 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.082 1.353 . . . . 0.0 109.215 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.95 133.28 54.4 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.12 0.968 . . . . 0.0 109.849 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -79.42 153.53 29.62 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -70.95 -175.24 1.08 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.782 0.833 . . . . 0.0 110.715 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.73 63.38 5.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.222 1.409 . . . . 0.0 109.739 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 52.02 47.33 24.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.123 1.369 . . . . 0.0 110.237 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -128.56 22.47 5.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.605 1.562 . . . . 0.0 110.487 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 m 48.77 38.02 10.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.478 1.911 . . . . 0.0 114.21 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -130.13 163.26 26.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.354 1.462 . . . . 0.0 107.247 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -130.29 141.7 45.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -107.8 150.45 26.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 127.017 2.127 . . . . 0.0 105.828 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.69 91.0 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -173.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.33 118.86 33.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -70.53 133.31 46.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.73 156.95 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.407 0.683 . . . . 0.0 111.41 -171.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -107.0 126.37 52.23 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 169.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.61 111.38 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.92 -30.07 55.95 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.336 0.655 . . . . 0.0 111.612 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.47 33.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -63.4 150.25 43.99 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.486 . . . . 0.0 110.182 171.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 170.31 6.63 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 123.911 0.884 . . . . 0.0 110.173 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.72 146.88 14.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.813 2.342 . . . . 0.0 112.263 171.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -58.85 -28.48 66.13 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.128 0.571 . . . . 0.0 111.643 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.48 -34.08 77.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.285 0.634 . . . . 0.0 111.8 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.76 -41.38 65.13 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -75.55 12.74 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -171.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.33 -13.08 61.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.079 0.952 . . . . 0.0 111.781 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.18 -23.63 1.7 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -157.01 151.82 25.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.462 1.028 . . . . 0.0 108.675 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 80.25 4.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.867 0.867 . . . . 0.0 108.713 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.49 152.03 32.26 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.771 0.828 . . . . 0.0 109.998 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.24 144.22 36.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.613 1.165 . . . . 0.0 109.023 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.37 141.11 43.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 169.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.93 136.68 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -169.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.31 133.55 52.9 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.33 73.8 9.34 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.915 0.886 . . . . 0.0 109.883 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.6 pt -62.15 -5.36 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.68 -12.16 48.29 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 118.297 -1.28 . . . . 0.0 112.852 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.06 -11.79 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.618 1.709 . . . . 0.0 116.543 -169.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -135.98 -44.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.867 1.833 . . . . 0.0 110.502 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.8 -25.25 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.48 3.112 . . . . 0.0 115.902 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -117.43 9.93 13.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.039 1.736 . . . . 0.0 111.273 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -133.66 161.19 35.34 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.408 1.083 . . . . 0.0 110.367 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -135.29 148.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.165 1.386 . . . . 0.0 109.664 -168.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.37 -169.54 2.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 128.001 2.52 . . . . 0.0 107.873 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.29 146.88 47.53 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.68 160.46 38.77 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 124.658 1.183 . . . . 0.0 109.986 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 128.87 33.81 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 171.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.46 -33.42 69.73 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.356 0.98 . . . . 0.0 109.965 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -51.3 -18.05 0.87 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.121 2.569 . . . . 0.0 114.48 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -123.42 13.23 9.47 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.899 0.88 . . . . 0.0 112.292 -171.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.13 152.52 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 125.266 1.426 . . . . 0.0 109.342 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -112.73 120.86 42.97 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.57 139.93 37.35 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.0 mt -129.91 143.88 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.14 1.376 . . . . 0.0 107.657 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.34 21.82 7.18 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.738 1.615 . . . . 0.0 113.848 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -77.97 163.62 3.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 124.064 0.946 . . . . 0.0 111.841 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.41 157.23 38.42 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.366 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.4 -44.06 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 111.974 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.41 -29.6 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.266 0.939 . . . . 0.0 110.824 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.8 m -67.59 -50.51 57.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.13 -46.44 85.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.697 0.68 . . . . 0.0 110.086 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -62.94 -37.42 86.99 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.201 0.601 . . . . 0.0 111.078 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.5 93.62 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.182 0.901 . . . . 0.0 110.569 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.65 -45.76 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.54 92.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.096 0.558 . . . . 0.0 110.387 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -37.04 79.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 46.8 t-105 -59.17 -46.94 87.09 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.719 0.407 . . . . 0.0 109.987 170.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.21 -40.99 99.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.286 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -63.56 -44.94 92.67 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.891 0.768 . . . . 0.0 110.599 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -60.34 -38.94 85.33 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.8 -0.563 . . . . 0.0 111.267 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.38 -47.18 83.15 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.45 72.59 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.754 1.222 . . . . 0.0 112.814 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.02 -20.51 24.68 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.351 0.978 . . . . 0.0 112.207 173.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.78 76.18 0.51 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -55.41 140.65 39.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.182 0.593 . . . . 0.0 111.373 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -140.1 -5.1 1.3 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -169.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.251 1.16 0 CA-C-N 119.283 0.947 . . . . 0.0 109.468 175.439 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.13 66.74 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -70.49 28.75 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.063 2.145 . . . . 0.0 115.21 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.2 -16.54 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 120.945 -1.097 . . . . 0.0 112.278 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.71 151.43 33.66 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 0.0 107.968 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -130.47 -3.9 4.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.986 1.315 . . . . 0.0 111.841 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -84.02 -14.56 50.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.499 1.52 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.58 -3.98 0.19 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.667 2.387 . . . . 0.0 115.635 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 m -61.25 -46.02 92.09 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 121.338 1.881 . . . . 0.0 110.841 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -35.01 78.72 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.387 1.449 . . . . 0.0 109.391 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.93 -49.71 70.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.365 0.984 . . . . 0.0 110.634 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.23 -49.56 75.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.375 1.07 . . . . 0.0 110.249 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -64.25 -47.9 77.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 121.497 -0.752 . . . . 0.0 111.108 -175.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tt -58.37 -43.06 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -62.65 -39.73 94.8 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.374 1.07 . . . . 0.0 111.994 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -95.12 -1.75 51.35 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -169.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -139.55 -21.73 0.91 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.75 -40.66 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.805 1.639 . . . . 0.0 110.276 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -129.17 10.07 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.033 0.933 . . . . 0.0 112.906 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.9 -33.92 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.669 0.787 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -2.8 29.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.396 1.478 . . . . 0.0 112.918 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.98 154.89 50.82 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.175 1.39 . . . . 0.0 109.762 -170.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.82 -1.17 1.84 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -133.77 148.9 51.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.797 1.239 . . . . 0.0 108.238 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.28 -37.11 45.53 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.98 -44.19 73.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.926 1.239 . . . . 0.0 109.369 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.07 -36.07 81.21 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.703 0.801 . . . . 0.0 110.056 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.53 -32.04 64.0 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 121.195 -0.941 . . . . 0.0 111.123 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.14 98.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.995 0.816 . . . . 0.0 109.352 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.4 mmt -60.86 -41.27 95.54 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.081 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.1 -52.76 49.39 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 119.617 1.099 . . . . 0.0 111.737 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -53.99 -50.91 65.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.384 0.674 . . . . 0.0 110.852 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.01 -46.08 82.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.205 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -61.24 -50.94 71.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.909 0.777 . . . . 0.0 109.881 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -34.77 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.72 -177.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.02 -52.45 62.86 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.541 1.064 . . . . 0.0 109.621 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.18 -36.35 75.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.915 0.779 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -69.68 -26.43 64.37 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.3 m -98.53 -34.16 10.71 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.867 0.867 . . . . 0.0 112.358 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.7 mt -66.83 3.66 1.01 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -169.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 19.36 60.13 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 130.98 3.712 . . . . 0.0 114.17 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.23 156.56 10.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.692 1.197 . . . . 0.0 113.258 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.12 162.91 91.84 Favored 'Cis proline' 0 CA--C 1.537 0.651 0 CA-C-N 118.562 0.522 . . . . 0.0 111.114 -10.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -143.55 -171.61 3.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -136.32 166.13 24.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.634 1.106 . . . . 0.0 112.62 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.86 -177.44 37.42 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.108 0.838 . . . . 0.0 111.357 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.5 122.05 46.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -76.9 108.55 10.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.78 53.82 2.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.705 1.602 . . . . 0.0 108.43 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.23 154.43 19.9 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.202 1.401 . . . . 0.0 110.167 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -110.0 125.74 53.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 m -143.05 177.55 8.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.737 0.815 . . . . 0.0 110.769 -169.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.56 171.09 0.11 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.239 1.816 . . . . 0.0 111.709 -171.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.08 -31.75 71.41 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.351 -0.843 . . . . 0.0 110.834 172.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 p -73.3 -7.14 50.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.919 1.288 . . . . 0.0 113.016 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m 53.48 31.89 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.559 1.144 . . . . 0.0 112.292 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 m -61.43 144.18 54.58 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.067 0.947 . . . . 0.0 108.951 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 mm -64.11 140.14 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 171.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -128.04 153.43 46.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.626 2.37 . . . . 0.0 104.977 169.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.6 105.1 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -169.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -110.68 120.23 41.74 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -70.02 132.08 45.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 m -140.34 145.67 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.031 0.532 . . . . 0.0 110.923 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.17 131.69 43.67 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.16 114.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.66 -31.21 22.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.847 0.859 . . . . 0.0 112.362 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.03 167.68 29.04 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.4 mtp -71.37 152.41 43.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.443 0.622 . . . . 0.0 109.485 169.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.61 165.76 27.71 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.518 1.127 . . . . 0.0 112.257 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.26 158.7 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.548 3.499 . . . . 0.0 114.935 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.16 -36.62 13.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.155 1.782 . . . . 0.0 112.001 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.48 -24.19 67.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.423 0.689 . . . . 0.0 112.448 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -102.72 -46.04 4.83 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.205 1.002 . . . . 0.0 110.045 -174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.8 p -71.44 -2.43 16.59 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.17 -10.41 59.74 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.417 1.087 . . . . 0.0 112.235 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -26.28 1.16 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -156.62 149.85 24.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.651 1.114 . . . . 0.0 109.868 -174.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.85 75.76 7.78 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.227 1.011 . . . . 0.0 109.336 -172.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.47 153.04 25.83 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.676 0.79 . . . . 0.0 109.841 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.8 m -136.52 145.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 125.402 1.481 . . . . 0.0 108.811 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.32 141.06 40.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.28 141.12 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -169.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.31 135.17 53.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -82.51 66.34 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.438 1.095 . . . . 0.0 110.839 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 pt -59.05 -17.02 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.553 -0.717 . . . . 0.0 112.518 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 -3.89 87.46 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.908 1.242 . . . . 0.0 113.167 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.6 -93.77 0.1 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 119.292 1.546 . . . . 0.0 111.263 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.31 -37.1 76.92 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 117.934 0.867 . . . . 0.0 112.359 -172.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.92 -25.47 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.22 3.408 . . . . 0.0 116.141 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.16 9.94 13.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.004 1.722 . . . . 0.0 111.244 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -134.51 162.75 31.39 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.042 0.937 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.89 145.61 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.879 1.672 . . . . 0.0 109.064 -169.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.75 -172.79 3.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.721 2.408 . . . . 0.0 107.801 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -122.83 143.74 49.66 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.98 152.85 51.37 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.956 1.303 . . . . 0.0 108.89 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 128.84 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.57 -31.67 68.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.309 0.504 . . . . 0.0 110.448 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -51.51 -19.8 1.61 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.916 2.486 . . . . 0.0 114.237 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.35 13.98 14.63 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.322 1.049 . . . . 0.0 111.534 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -119.63 153.21 22.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 125.383 1.473 . . . . 0.0 109.467 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -119.44 118.04 30.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.02 140.54 37.93 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.1 mt -129.23 141.31 46.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 124.176 0.991 . . . . 0.0 108.93 -174.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.5 38.4 22.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.815 1.646 . . . . 0.0 112.782 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.2 p -112.83 164.7 8.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.742 0.817 . . . . 0.0 110.828 -176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 154.37 40.82 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.882 0.873 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.02 -42.36 76.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.13 0.972 . . . . 0.0 112.154 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.42 -34.65 70.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.434 1.015 . . . . 0.0 110.707 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.9 m -63.9 -53.25 53.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 108.8 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -45.38 91.21 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.268 0.627 . . . . 0.0 109.882 -178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.26 -37.34 86.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.271 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.48 95.7 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.451 1.023 . . . . 0.0 110.669 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.54 -44.75 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.92 89.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.061 0.545 . . . . 0.0 110.321 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -68.03 -38.38 82.47 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.845 0.458 . . . . 0.0 111.713 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.14 -45.8 90.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.372 0.533 . . . . 0.0 110.581 170.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.99 -41.56 97.47 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.91 -0.493 . . . . 0.0 110.468 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -64.14 -41.81 97.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.593 0.633 . . . . 0.0 110.582 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -60.6 -40.62 92.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.887 0.767 . . . . 0.0 110.983 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.51 -44.37 97.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.26 90.08 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.448 1.099 . . . . 0.0 111.964 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -58.29 -30.42 66.61 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.69 1.196 . . . . 0.0 111.34 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.71 87.16 0.1 Allowed Glycine 0 C--N 1.334 0.45 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -58.84 134.09 56.57 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 117.747 0.773 . . . . 0.0 110.363 175.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -145.49 -18.53 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.973 1.309 . . . . 0.0 112.717 169.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--O 1.248 0.99 0 C-N-CA 128.979 2.911 . . . . 0.0 105.161 170.217 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.632 0.254 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.12 128.08 25.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 169.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -65.81 144.08 57.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.987 0.515 . . . . 0.0 109.743 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 m -147.73 165.8 5.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 126.755 2.022 . . . . 0.0 106.26 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.46 124.57 20.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.754 0.821 . . . . 0.0 110.255 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 ttt-85 -148.8 150.01 32.33 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -140.49 162.68 34.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 169.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.91 -27.67 66.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.225 0.921 . . . . 0.0 111.146 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 m -61.08 -42.86 99.28 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.826 0.85 . . . . 0.0 110.657 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -66.69 -41.75 87.55 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 119.557 1.071 . . . . 0.0 109.729 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.25 -46.13 90.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.498 0.59 . . . . 0.0 110.306 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -59.65 -51.17 70.94 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.078 0.951 . . . . 0.0 110.348 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.55 -46.42 79.57 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.409 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 tt -61.25 -42.75 94.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 119.514 1.052 . . . . 0.0 108.947 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -61.61 -44.51 96.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.35 0.66 . . . . 0.0 111.624 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 p -91.19 -13.37 33.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.353 -0.832 . . . . 0.0 113.186 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -126.0 -30.05 3.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.717 1.144 . . . . 0.0 112.976 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.5 mt -106.95 -30.58 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 119.231 0.923 . . . . 0.0 110.032 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 35.98 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.717 1.207 . . . . 0.0 108.962 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -15.33 -49.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.617 1 C-N-CA 131.78 4.032 . . . . 0.0 118.722 -169.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -138.68 5.39 2.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.932 1.293 . . . . 0.0 111.591 -174.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.53 143.26 50.01 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.662 1.185 . . . . 0.0 110.124 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.49 -2.4 2.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.409 1.084 . . . . 0.0 112.16 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.33 147.73 45.9 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.37 1.068 . . . . 0.0 109.434 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -53.41 -36.05 61.08 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 118.193 -0.908 . . . . 0.0 113.228 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.93 -42.95 84.46 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.655 1.116 . . . . 0.0 109.527 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.88 -43.16 93.84 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.384 0.674 . . . . 0.0 109.488 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -69.08 -33.79 74.1 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.149 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.17 90.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.708 0.686 . . . . 0.0 109.8 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.5 mmt -68.41 -37.23 80.12 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.695 0.68 . . . . 0.0 111.694 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.53 -50.67 61.37 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.09 0.859 . . . . 0.0 111.126 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -53.12 -52.27 59.21 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.262 0.625 . . . . 0.0 110.768 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.78 -48.14 75.83 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.238 0.615 . . . . 0.0 111.291 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -62.93 -52.19 64.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.374 0.534 . . . . 0.0 110.209 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -34.67 73.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.569 -0.853 . . . . 0.0 110.42 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.14 -53.61 50.73 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 118.517 0.599 . . . . 0.0 109.74 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.59 0.632 . . . . 0.0 110.929 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.21 -27.33 68.98 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -89.65 -38.77 13.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.897 0.879 . . . . 0.0 111.456 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.03 122.1 11.55 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 123.586 0.754 . . . . 0.0 109.878 -174.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.79 50.64 0.86 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.555 1.942 . . . . 0.0 108.982 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -71.36 153.07 94.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 O-C-N 120.977 -1.077 . . . . 0.0 111.081 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -70.05 150.55 91.07 Favored 'Cis proline' 0 CA--C 1.538 0.714 0 CA-C-N 119.255 0.77 . . . . 0.0 110.844 -10.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -141.17 -168.15 2.55 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.282 1.433 . . . . 0.0 108.351 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptm -132.43 167.17 20.42 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 119.42 1.009 . . . . 0.0 112.033 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.52 -177.84 38.14 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-O 122.145 0.858 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.02 120.69 37.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 171.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.0 110.48 11.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.7 59.31 3.02 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.533 1.533 . . . . 0.0 108.075 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -52.91 137.68 31.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.778 1.631 . . . . 0.0 108.703 -172.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -118.41 -8.06 10.58 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.478 1.035 . . . . 0.0 111.902 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m -68.58 19.36 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.212 2.205 . . . . 0.0 115.68 -169.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -74.49 10.28 1.39 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.418 -1.426 . . . . 0.0 114.119 -170.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 65.25 -34.46 0.18 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.014 2.526 . . . . 0.0 113.702 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 p -78.8 -2.06 37.8 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.54 1.064 . . . . 0.0 111.356 169.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m 62.36 12.18 5.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.442 1.897 . . . . 0.0 113.397 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -67.52 139.61 56.98 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.254 1.022 . . . . 0.0 108.792 174.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.94 143.3 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -130.89 161.61 31.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.454 2.302 . . . . 0.0 105.121 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.12 104.03 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -103.49 117.2 33.91 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -68.22 133.34 48.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.14 146.54 25.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.166 0.587 . . . . 0.0 110.376 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.62 115.89 28.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.67 108.79 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.75 -30.39 51.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 123.216 0.606 . . . . 0.0 111.756 -169.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.34 179.65 34.3 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.199 -1.96 . . . . 0.0 108.199 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.1 mmm -64.04 149.28 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.31 12.26 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.691 0.797 . . . . 0.0 109.09 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.66 138.65 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.797 2.332 . . . . 0.0 111.885 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -58.07 -29.67 65.59 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.812 0.845 . . . . 0.0 112.01 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.66 -31.92 72.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.056 0.943 . . . . 0.0 112.129 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.92 -18.91 42.0 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.883 -0.51 . . . . 0.0 110.826 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -100.21 20.2 15.08 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.093 0.957 . . . . 0.0 112.56 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.08 -0.41 21.76 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 112.516 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -146.18 -24.01 0.44 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -154.83 136.6 14.44 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -173.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.58 128.65 36.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.384 0.993 . . . . 0.0 109.706 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -122.56 153.11 39.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 109.257 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.85 144.77 31.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.231 1.012 . . . . 0.0 108.85 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.53 140.32 39.73 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.4 140.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.44 0.696 . . . . 0.0 109.679 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.28 135.81 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.75 63.56 6.94 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.383 1.073 . . . . 0.0 111.51 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.47 -18.72 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 121.496 -0.752 . . . . 0.0 112.758 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.59 85.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.913 1.245 . . . . 0.0 113.067 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.59 -97.43 0.16 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 119.123 1.461 . . . . 0.0 110.711 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.94 -34.03 74.09 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 117.758 0.779 . . . . 0.0 112.716 -171.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 60.7 -25.47 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.055 3.342 . . . . 0.0 116.093 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -116.0 10.2 15.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.966 1.706 . . . . 0.0 111.278 -172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -135.69 163.49 30.04 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.127 0.971 . . . . 0.0 110.653 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.09 148.05 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 110.234 -168.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -141.71 -172.03 3.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.495 2.318 . . . . 0.0 108.31 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -123.15 147.45 46.81 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.29 154.39 51.33 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.802 1.241 . . . . 0.0 109.709 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -71.76 125.0 26.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 104.786 -2.302 . . . . 0.0 104.786 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.59 -34.25 72.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.084 0.856 . . . . 0.0 109.282 170.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -54.0 -12.16 0.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 129.06 2.944 . . . . 0.0 114.417 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -126.8 15.63 7.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.258 1.023 . . . . 0.0 111.705 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.13 155.47 21.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.554 1.542 . . . . 0.0 109.245 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -121.82 119.01 30.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.15 139.17 38.99 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.6 mt -131.3 144.54 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.481 1.113 . . . . 0.0 108.644 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.25 38.07 23.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.497 1.519 . . . . 0.0 113.08 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 p -115.18 168.45 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.846 0.858 . . . . 0.0 110.565 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.49 151.49 44.23 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.711 0.804 . . . . 0.0 110.492 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -55.52 -42.27 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.179 0.992 . . . . 0.0 111.898 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.91 -27.61 61.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.106 0.866 . . . . 0.0 111.2 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 96.5 m -71.54 -49.22 42.86 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -46.39 88.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.11 -38.33 90.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.81 97.86 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.666 1.121 . . . . 0.0 110.45 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.36 -46.11 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.485 0.714 . . . . 0.0 109.093 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.52 91.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.119 0.568 . . . . 0.0 110.346 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.76 -35.51 77.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 119.256 -0.402 . . . . 0.0 112.024 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -60.33 -47.42 86.1 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.583 0.629 . . . . 0.0 110.139 170.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.44 -45.05 95.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.692 0.397 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -62.22 -45.58 92.71 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.623 0.769 . . . . 0.0 110.758 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -57.85 -47.27 83.18 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.959 0.504 . . . . 0.0 110.559 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.23 -47.68 84.95 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.84 -31.1 72.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -68.04 -16.18 63.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.54 81.66 0.28 Allowed Glycine 0 C--N 1.335 0.522 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -175.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -47.12 131.52 12.62 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.063 0.945 . . . . 0.0 111.703 173.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -132.09 -28.11 1.76 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.831 1.252 . . . . 0.0 110.926 169.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 127.792 2.437 . . . . 0.0 106.452 178.783 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.95 -34.32 59.35 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -55.58 -11.02 0.77 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.602 1.961 . . . . 0.0 115.042 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.98 -26.79 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.759 0.824 . . . . 0.0 111.972 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -140.66 -55.26 0.51 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.128 0.876 . . . . 0.0 109.712 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 41.85 40.36 1.51 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.327 2.251 . . . . 0.0 114.509 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -148.17 127.52 13.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 -11.05 56.35 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -171.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 m -56.04 -34.54 65.97 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.141 0.882 . . . . 0.0 110.5 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.55 -53.46 57.78 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 118.718 0.69 . . . . 0.0 110.42 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -56.92 -48.24 78.71 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 110.165 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -60.49 -48.85 79.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.191 0.596 . . . . 0.0 111.144 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -68.97 -45.94 69.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.397 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.15 -40.71 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 120.631 1.56 . . . . 0.0 109.916 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.57 -33.52 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.928 1.291 . . . . 0.0 112.564 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.8 p -102.91 4.75 37.94 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.5 0.72 . . . . 0.0 112.697 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -132.36 -37.09 1.1 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.233 0.924 . . . . 0.0 113.089 -173.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.1 mt -122.16 -37.65 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.217 0.917 . . . . 0.0 111.947 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.53 23.46 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 119.007 0.821 . . . . 0.0 110.882 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -56.68 -38.19 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.57 1.148 . . . . 0.0 111.689 -171.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.91 -15.18 54.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.658 0.783 . . . . 0.0 112.39 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 149.9 37.42 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.734 -0.603 . . . . 0.0 111.142 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.87 -7.43 2.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 0.0 111.106 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.34 152.39 41.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.057 1.343 . . . . 0.0 108.941 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -31.48 30.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.36 -42.61 68.24 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.219 0.918 . . . . 0.0 109.103 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -68.97 -35.19 76.44 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -59.17 -41.41 88.34 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.565 -0.709 . . . . 0.0 110.444 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.8 92.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.021 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mmt -61.82 -42.86 99.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.921 0.782 . . . . 0.0 111.215 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.6 63.3 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 118.963 0.801 . . . . 0.0 111.259 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -57.09 -49.06 77.04 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.84 0.456 . . . . 0.0 110.889 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.4 -47.75 82.87 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.044 0.538 . . . . 0.0 110.352 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -55.84 29.94 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.097 0.959 . . . . 0.0 110.522 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.24 -36.98 77.76 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.055 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.69 -51.37 59.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.205 0.457 . . . . 0.0 109.926 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.47 -38.21 83.52 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.495 0.589 . . . . 0.0 110.995 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.37 -25.19 66.68 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -93.03 -37.94 11.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.675 0.79 . . . . 0.0 111.584 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.21 121.82 11.65 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.629 0.772 . . . . 0.0 109.759 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.78 51.57 1.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.734 2.014 . . . . 0.0 108.895 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -71.07 155.3 93.44 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 121.108 -0.995 . . . . 0.0 111.426 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.94 152.96 90.69 Favored 'Cis proline' 0 CA--C 1.537 0.644 0 CA-C-N 119.306 0.788 . . . . 0.0 111.083 -10.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -141.4 -168.32 2.61 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.234 1.414 . . . . 0.0 108.526 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -135.3 169.58 17.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 119.48 1.036 . . . . 0.0 111.552 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.23 -179.58 40.76 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-O 121.773 0.651 . . . . 0.0 111.883 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -115.31 120.77 40.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -77.27 105.4 8.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 168.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -77.25 53.79 1.04 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.932 1.693 . . . . 0.0 107.313 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -47.72 112.37 0.55 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.141 1.777 . . . . 0.0 112.412 -168.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -80.91 -18.2 47.98 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.208 0.603 . . . . 0.0 111.672 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -66.57 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.677 1.991 . . . . 0.0 116.137 -169.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -67.17 172.7 4.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.13 1.332 . . . . 0.0 109.948 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.05 -46.64 88.85 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.819 -0.55 . . . . 0.0 109.7 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -85.1 172.32 11.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 109.383 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.8 m -68.94 -8.06 40.91 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.216 -0.927 . . . . 0.0 112.981 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 m -55.22 133.41 49.21 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.645 1.578 . . . . 0.0 110.492 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.4 mt -77.26 150.22 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 109.326 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -125.98 162.0 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.274 1.829 . . . . 0.0 106.173 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -130.71 105.3 7.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -169.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -114.36 118.15 33.05 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -69.93 132.32 45.78 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.79 145.96 28.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.357 0.663 . . . . 0.0 110.757 -174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -96.93 122.32 39.78 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 103.722 -2.696 . . . . 0.0 103.722 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.17 109.02 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.45 -34.77 79.07 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.154 0.581 . . . . 0.0 110.406 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.83 -176.16 33.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -173.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.0 tpt -62.67 145.48 54.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.067 0.547 . . . . 0.0 109.596 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 167.88 11.2 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.571 0.749 . . . . 0.0 111.102 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.62 150.6 5.86 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.15 2.567 . . . . 0.0 112.818 171.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.93 -33.31 64.59 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.104 0.962 . . . . 0.0 111.384 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.93 -30.57 69.92 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.239 1.016 . . . . 0.0 112.355 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -75.65 -42.67 50.75 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.0 m -78.05 15.79 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.422 1.089 . . . . 0.0 113.634 -173.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -15.88 61.89 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.772 1.229 . . . . 0.0 112.488 -177.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -142.16 -31.94 0.52 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.635 0.774 . . . . 0.0 112.898 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.79 156.79 43.82 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.312 1.045 . . . . 0.0 109.309 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -85.78 118.67 25.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.777 0.831 . . . . 0.0 109.589 -173.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -129.05 153.0 48.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.253 1.021 . . . . 0.0 109.634 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.17 145.91 32.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 124.247 1.019 . . . . 0.0 108.644 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -81.32 139.4 35.41 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.7 139.43 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.746 0.819 . . . . 0.0 110.046 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.48 135.17 44.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.5 66.23 5.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.175 0.99 . . . . 0.0 110.159 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 pt -59.54 -13.47 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 121.38 -0.825 . . . . 0.0 112.702 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.69 -10.47 65.12 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.21 -1.328 . . . . 0.0 113.246 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.48 -25.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-N 119.612 1.706 . . . . 0.0 116.127 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.26 -40.11 0.47 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.651 1.725 . . . . 0.0 111.517 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 60.51 -34.38 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.801 3.241 . . . . 0.0 115.487 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.71 0.51 57.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.254 1.421 . . . . 0.0 113.176 -169.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -137.8 164.03 29.92 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.045 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.83 148.42 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.805 1.642 . . . . 0.0 109.228 -169.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -141.47 -173.48 3.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 128.113 2.565 . . . . 0.0 107.398 -176.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.6 m -123.89 147.71 47.44 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.73 148.65 50.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.802 1.241 . . . . 0.0 109.017 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 129.34 38.61 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 169.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.1 -31.49 70.09 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -49.4 -23.19 1.39 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.349 171.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -116.22 12.89 15.56 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.979 0.809 . . . . 0.0 112.14 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.43 155.09 19.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 125.226 1.41 . . . . 0.0 109.416 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -122.23 131.65 54.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.44 140.96 32.04 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -129.35 142.42 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 125.002 1.321 . . . . 0.0 107.556 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.97 21.54 7.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.806 1.642 . . . . 0.0 114.084 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -79.68 166.31 2.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.165 0.986 . . . . 0.0 111.618 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.94 161.96 27.96 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.34 -42.43 86.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.265 0.626 . . . . 0.0 112.429 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -39.97 75.43 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.242 0.928 . . . . 0.0 110.579 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.5 m -60.1 -49.82 76.12 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.81 1.244 . . . . 0.0 110.187 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.59 -47.33 86.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.685 0.675 . . . . 0.0 109.759 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.41 -36.98 84.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.056 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.41 92.57 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.373 0.988 . . . . 0.0 110.835 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.22 -45.49 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.85 82.78 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.45 0.7 . . . . 0.0 110.806 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.04 -46.41 89.61 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.773 0.829 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.78 -44.39 96.86 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.766 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.16 -44.86 94.28 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.113 0.415 . . . . 0.0 110.331 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -63.05 -41.93 99.59 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.298 0.639 . . . . 0.0 110.6 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -63.14 -49.77 73.05 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.551 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.5 tp -66.22 -29.19 69.4 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.754 1.161 . . . . 0.0 110.817 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.958 0.903 . . . . 0.0 112.418 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -69.32 -30.32 68.36 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.829 0.852 . . . . 0.0 109.042 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.68 170.16 11.85 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 126.867 2.175 . . . . 0.0 109.753 173.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.07 -51.63 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 169.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 56.18 0.28 0.06 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.13 2.572 . . . . 0.0 116.537 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--O 1.249 1.046 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 175.048 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 ttp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.85 137.86 42.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -61.69 -21.44 64.46 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.4 -7.44 9.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.62 1.168 . . . . 0.0 112.826 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.29 68.84 0.77 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.682 1.193 . . . . 0.0 109.468 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -54.61 -46.79 73.91 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.385 1.074 . . . . 0.0 111.278 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -166.98 152.56 7.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.05 -19.43 64.38 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -50.96 -41.55 59.34 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.681 1.128 . . . . 0.0 111.225 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -63.71 -43.7 95.82 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -60.32 -50.38 73.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.411 0.685 . . . . 0.0 109.318 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.62 -50.0 71.08 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.424 0.29 . . . . 0.0 110.782 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -67.28 -41.5 85.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.902 -1.046 . . . . 0.0 111.193 -173.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 tt -61.2 -44.77 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.863 1.21 . . . . 0.0 108.699 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.03 -39.82 95.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.545 1.138 . . . . 0.0 111.605 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.5 p -94.45 -1.42 53.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -171.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -129.73 -30.17 2.08 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.231 0.923 . . . . 0.0 112.787 -171.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.7 mt -110.66 -32.96 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.624 1.102 . . . . 0.0 111.241 -171.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 11.71 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 118.683 0.674 . . . . 0.0 112.645 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.58 -35.61 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.159 0.984 . . . . 0.0 111.819 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.83 2.08 27.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.032 1.333 . . . . 0.0 112.562 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.23 159.47 42.07 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.622 1.169 . . . . 0.0 110.414 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.81 -0.7 2.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.99 151.42 49.89 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.518 1.127 . . . . 0.0 108.637 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -44.41 -40.35 5.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.413 . . . . 0.0 113.618 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.98 -46.29 36.34 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.244 0.929 . . . . 0.0 108.71 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -64.34 -36.98 85.88 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.84 0.856 . . . . 0.0 109.872 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -73.28 -34.07 65.57 Favored 'General case' 0 C--O 1.231 0.093 0 O-C-N 121.466 -0.771 . . . . 0.0 110.998 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.146 0.884 . . . . 0.0 109.502 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.63 -39.18 88.16 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.674 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.22 -52.22 45.5 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 119.471 1.032 . . . . 0.0 111.325 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -54.59 -50.58 67.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.402 0.681 . . . . 0.0 110.913 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -56.52 -47.66 78.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.163 0.585 . . . . 0.0 110.957 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.03 -52.19 64.94 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.404 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -36.75 74.6 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.004 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.39 -49.95 67.33 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.673 0.669 . . . . 0.0 109.838 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.63 -39.09 83.17 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.353 0.661 . . . . 0.0 110.971 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 83.5 m -93.96 -37.8 11.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.695 0.798 . . . . 0.0 111.671 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.58 123.18 15.4 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 109.642 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.47 51.7 1.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.362 1.865 . . . . 0.0 108.835 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -70.99 153.03 94.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 O-C-N 120.983 -1.073 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.16 150.74 91.66 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.25 0.768 . . . . 0.0 110.669 -10.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -141.09 -170.15 2.99 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.141 1.376 . . . . 0.0 108.334 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -131.72 166.9 20.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.649 1.113 . . . . 0.0 112.056 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.96 -178.56 38.92 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -114.3 122.64 47.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -75.98 105.77 7.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -84.54 50.35 1.87 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.695 1.598 . . . . 0.0 108.012 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -52.71 117.64 3.07 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 124.793 1.237 . . . . 0.0 110.577 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.45 -18.87 34.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.813 0.279 . . . . 0.0 111.503 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -60.24 115.05 3.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.272 1.029 . . . . 0.0 110.364 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -159.24 178.71 9.7 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.263 1.825 . . . . 0.0 106.811 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.05 -50.2 74.29 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -81.68 175.46 10.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.279 1.432 . . . . 0.0 109.709 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.6 m -77.56 4.18 11.87 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.077 -1.015 . . . . 0.0 113.107 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 m -62.91 133.19 54.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.207 1.403 . . . . 0.0 111.321 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.36 144.28 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -126.08 155.25 41.86 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.719 2.008 . . . . 0.0 105.581 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.37 116.54 18.43 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -123.47 122.63 38.73 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -70.95 132.76 45.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -139.87 146.95 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.0 0.52 . . . . 0.0 110.562 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.95 115.43 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.09 108.79 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.24 -30.41 54.5 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.085 0.554 . . . . 0.0 111.657 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.13 -179.62 34.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.49 149.71 48.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.344 -0.504 . . . . 0.0 110.426 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 171.15 6.91 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 123.984 0.914 . . . . 0.0 109.562 169.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.45 146.63 13.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.675 2.25 . . . . 0.0 112.254 171.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -29.14 64.72 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.208 0.603 . . . . 0.0 111.708 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 -34.31 77.57 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.706 0.802 . . . . 0.0 111.922 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.7 -40.56 72.79 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.3 15.44 0.96 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -171.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.22 -7.61 54.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.0 0.92 . . . . 0.0 112.249 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.78 -25.59 0.68 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -151.85 147.9 27.17 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -76.92 84.6 3.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -78.42 150.32 33.1 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.837 -0.539 . . . . 0.0 109.647 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 m -135.22 145.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.47 1.108 . . . . 0.0 108.771 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.52 143.64 38.27 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 169.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.16 142.28 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -169.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 135.36 54.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.6 65.51 7.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.288 1.035 . . . . 0.0 111.182 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.84 -17.98 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 121.487 -0.758 . . . . 0.0 112.573 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.84 -3.6 87.87 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.904 1.24 . . . . 0.0 113.03 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.29 -95.38 0.12 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 119.225 1.513 . . . . 0.0 111.098 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.33 -35.4 75.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.753 0.777 . . . . 0.0 112.481 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 60.34 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 130.268 3.427 . . . . 0.0 116.292 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.36 9.09 15.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.877 1.671 . . . . 0.0 111.257 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -135.27 163.39 30.08 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.914 0.886 . . . . 0.0 110.937 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.19 145.86 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.028 1.731 . . . . 0.0 109.291 -168.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -136.19 -174.67 3.75 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.208 2.203 . . . . 0.0 108.224 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 m -118.31 145.01 45.41 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 171.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.66 156.51 48.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.821 1.248 . . . . 0.0 109.25 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 128.58 33.82 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 173.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.91 -32.63 70.93 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.496 1.044 . . . . 0.0 109.569 169.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -54.3 -14.97 1.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.857 2.463 . . . . 0.0 114.198 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -123.55 15.23 9.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.131 1.373 . . . . 0.0 110.637 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -123.78 155.85 30.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 125.739 1.616 . . . . 0.0 109.509 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.25 118.72 27.45 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.96 140.14 40.36 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -130.63 142.85 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.627 1.171 . . . . 0.0 108.516 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.29 36.71 20.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.599 1.56 . . . . 0.0 113.273 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.46 168.71 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.832 0.853 . . . . 0.0 110.642 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.45 151.83 43.21 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.514 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.11 -42.97 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.089 0.956 . . . . 0.0 111.974 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -72.9 -27.29 61.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.271 0.941 . . . . 0.0 111.069 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.2 m -72.52 -49.2 34.53 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -45.74 90.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -63.08 -41.64 99.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.974 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.69 90.97 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.913 1.233 . . . . 0.0 111.042 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.55 -45.67 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.92 78.97 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.365 0.53 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.87 -42.77 94.57 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.044 0.938 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -62.97 -44.96 94.63 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 123.084 0.554 . . . . 0.0 110.63 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.52 -46.89 86.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.443 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -33.9 72.23 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.736 0.698 . . . . 0.0 110.74 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -58.86 -39.16 80.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.445 1.02 . . . . 0.0 111.146 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.02 -43.66 86.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.429 -0.795 . . . . 0.0 108.896 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.748 0.819 . . . . 0.0 112.332 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.2 tpt85 -62.76 -26.95 68.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.155 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.56 -11.57 0.15 Allowed Glycine 0 CA--C 1.527 0.836 0 CA-C-O 117.709 -1.606 . . . . 0.0 115.505 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.2 t80 42.25 57.39 3.34 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.144 1.472 . . . . 0.0 112.32 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -124.63 -7.22 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.249 1.035 0 C-N-CA 125.852 1.661 . . . . 0.0 111.052 -172.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.45 -26.24 65.41 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.896 -0.503 . . . . 0.0 112.331 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -74.97 55.02 0.69 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.889 2.076 . . . . 0.0 111.611 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 m -65.04 -23.6 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.344 1.458 . . . . 0.0 113.003 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -66.72 152.76 44.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.06 1.344 . . . . 0.0 111.263 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -68.81 -30.91 69.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.005 -0.521 . . . . 0.0 112.274 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -160.45 144.65 14.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.043 0.937 . . . . 0.0 108.812 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -60.85 -13.01 12.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.313 1.445 . . . . 0.0 113.778 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.3 m -50.14 -33.85 20.32 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.29 1.036 . . . . 0.0 111.049 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -60.15 -47.94 83.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.892 1.224 . . . . 0.0 110.879 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.24 -43.84 69.77 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.252 0.478 . . . . 0.0 110.324 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -58.44 -50.34 74.05 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.845 0.458 . . . . 0.0 109.952 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -64.64 -50.62 66.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.577 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.13 -41.57 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.335 0.97 . . . . 0.0 110.058 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.98 -41.22 97.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.779 0.832 . . . . 0.0 111.215 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -98.9 1.49 45.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -169.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -136.91 -10.59 1.77 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.6 mm -113.52 -45.73 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 120.402 1.455 . . . . 0.0 111.34 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 pt -121.23 16.48 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.631 0.772 . . . . 0.0 113.005 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -35.46 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.573 1.149 . . . . 0.0 111.466 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.34 2.26 54.63 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.322 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.66 140.68 52.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.698 1.199 . . . . 0.0 109.665 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.62 1.85 3.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.16 0.984 . . . . 0.0 111.594 -173.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -129.61 145.49 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.698 1.199 . . . . 0.0 108.495 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -34.12 43.54 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.49 -43.77 65.96 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 119.63 1.104 . . . . 0.0 109.099 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.54 -38.43 87.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.051 0.54 . . . . 0.0 109.794 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -70.9 -32.03 68.86 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.446 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.24 96.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.95 0.795 . . . . 0.0 109.861 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -65.45 -42.78 91.99 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.246 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.31 -50.68 55.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 119.009 0.822 . . . . 0.0 111.18 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -53.83 -57.15 11.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.292 0.637 . . . . 0.0 110.834 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.2 -46.75 69.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.531 0.732 . . . . 0.0 111.315 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.11 -54.25 46.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.815 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -36.13 70.85 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.612 -175.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.62 -54.04 33.18 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.68 -38.6 88.39 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.138 0.881 . . . . 0.0 111.413 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.24 -26.47 68.8 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.2 m -87.55 -30.04 20.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.973 0.909 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.02 123.7 17.45 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.1 0.864 . . . . 0.0 108.689 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.67 48.86 1.11 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.893 1.277 . . . . 0.0 109.137 172.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -64.52 154.35 84.53 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.277 1.031 . . . . 0.0 111.38 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.69 154.18 95.66 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 119.22 0.757 . . . . 0.0 111.021 -10.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -144.82 -167.88 2.78 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.24 1.416 . . . . 0.0 108.224 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.38 167.39 20.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.486 1.039 . . . . 0.0 112.283 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.38 -178.46 37.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.412 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -116.8 121.7 42.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.59 107.9 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.56 49.17 1.53 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.919 1.688 . . . . 0.0 108.996 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.53 119.2 5.69 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.83 1.252 . . . . 0.0 109.839 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.88 134.79 55.8 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 172.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -62.87 163.22 9.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.416 1.086 . . . . 0.0 111.895 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.527 ' H ' ' HD2' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.13 102.11 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.334 1.854 . . . . 0.0 110.417 -173.223 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 43.48 37.88 1.61 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.462 1.505 . . . . 0.0 112.508 -174.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.73 149.17 43.29 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.08 0.952 . . . . 0.0 109.496 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -70.43 -17.03 63.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 112.91 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -58.61 163.53 3.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.941 1.696 . . . . 0.0 110.436 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.9 mt -130.0 141.43 46.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.323 1.049 . . . . 0.0 108.419 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -106.62 144.39 33.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.43 92.71 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -96.47 119.79 35.6 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -70.39 132.33 45.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -139.18 146.49 25.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 123.131 0.573 . . . . 0.0 110.98 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.38 132.39 41.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 104.079 -2.564 . . . . 0.0 104.079 168.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.63 112.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.62 -30.18 41.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.89 0.876 . . . . 0.0 111.714 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.85 174.18 23.01 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.218 -2.353 . . . . 0.0 107.218 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.3 mtp -65.41 151.84 45.34 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 117.919 0.86 . . . . 0.0 111.087 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.49 176.03 2.16 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.372 1.469 . . . . 0.0 111.297 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -46.84 147.76 4.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.311 2.674 . . . . 0.0 112.808 169.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.01 -40.45 67.02 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.82 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.74 -28.03 66.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.609 0.764 . . . . 0.0 112.033 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.7 -45.43 36.9 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.355 -0.84 . . . . 0.0 109.488 170.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.0 m -70.95 6.36 1.59 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.49 1.116 . . . . 0.0 113.274 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.58 -7.76 59.63 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.179 2.192 . . . . 0.0 112.404 -172.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -137.63 -30.62 0.82 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.147 0.979 . . . . 0.0 112.574 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.63 159.3 36.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -86.0 129.39 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.875 1.216 . . . . 0.0 109.0 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -132.39 157.05 45.53 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.128 0.971 . . . . 0.0 110.076 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.45 145.71 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 124.184 0.994 . . . . 0.0 109.583 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.76 140.73 42.54 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.13 144.11 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -169.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.8 138.64 49.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -84.07 61.93 6.76 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 124.924 1.29 . . . . 0.0 110.322 -170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -58.0 -17.5 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.198 -0.939 . . . . 0.0 112.836 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.36 -11.37 78.15 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.43 -1.206 . . . . 0.0 113.377 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.11 -44.58 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.447 1.623 . . . . 0.0 114.324 -170.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -161.79 73.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.536 1.935 . . . . 0.0 106.449 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.01 -30.9 6.67 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.954 1.702 . . . . 0.0 112.383 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.88 -15.13 63.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.913 1.285 . . . . 0.0 113.39 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -120.51 156.42 31.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.395 0.998 . . . . 0.0 111.774 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.15 144.69 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.471 1.508 . . . . 0.0 109.088 -168.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.92 -170.96 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.23 2.212 . . . . 0.0 107.953 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.6 m -118.63 144.85 45.88 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 169.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 152.7 51.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.664 1.186 . . . . 0.0 109.222 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -72.34 124.98 26.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.96 -35.67 79.16 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -53.52 -13.17 0.56 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.953 2.901 . . . . 0.0 114.218 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.45 15.59 8.91 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.467 1.107 . . . . 0.0 111.667 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -119.58 154.1 22.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.947 1.299 . . . . 0.0 109.547 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -121.75 118.59 29.43 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.9 139.38 39.23 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.5 mt -129.81 141.84 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.315 1.046 . . . . 0.0 108.654 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.48 38.27 25.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.539 1.536 . . . . 0.0 113.013 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 p -114.0 167.27 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.824 0.85 . . . . 0.0 110.826 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.51 152.4 45.28 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.921 0.889 . . . . 0.0 110.75 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.53 -40.61 68.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.579 1.152 . . . . 0.0 112.185 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.7 -31.17 63.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.334 0.97 . . . . 0.0 111.037 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.1 m -68.98 -50.71 46.61 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -45.77 85.63 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.72 -38.57 91.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.635 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.74 96.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.019 1.281 . . . . 0.0 110.484 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.27 -45.97 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.0 94.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.196 0.598 . . . . 0.0 110.355 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.09 -35.65 78.52 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.682 0.393 . . . . 0.0 111.472 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -61.02 -48.28 82.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.322 0.51 . . . . 0.0 110.493 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.36 -42.05 98.07 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -62.9 -46.06 89.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.203 1.001 . . . . 0.0 110.87 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -57.35 -46.13 83.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.593 0.633 . . . . 0.0 110.128 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.21 -32.07 73.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.49 0.586 . . . . 0.0 110.481 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.2 72.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.346 0.658 . . . . 0.0 111.629 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.6 ttp-105 -67.73 -25.61 65.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.338 1.055 . . . . 0.0 112.401 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 175.89 38.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -149.43 51.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.291 1.043 . . . . 0.0 109.864 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.93 -32.29 65.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 128.271 2.628 . . . . 0.0 106.274 -179.695 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.81 0.12 2.9 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.102 0.961 . . . . 0.0 112.013 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -77.35 34.56 0.17 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.526 1.93 . . . . 0.0 113.868 -169.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.42 -14.25 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 110.517 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.57 -12.05 2.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.118 1.367 . . . . 0.0 112.544 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -53.57 -21.67 7.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.079 0.952 . . . . 0.0 112.884 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -128.15 78.03 1.81 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.427 1.091 . . . . 0.0 108.822 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.82 -20.33 22.05 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.272 1.029 . . . . 0.0 112.414 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -50.53 -46.3 57.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.117 0.871 . . . . 0.0 110.519 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -67.65 -38.01 83.22 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.658 -0.687 . . . . 0.0 110.458 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.27 -47.26 83.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.359 0.664 . . . . 0.0 109.325 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -63.95 -47.64 79.63 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.602 0.361 . . . . 0.0 110.591 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -67.23 -43.97 80.65 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 118.066 -0.968 . . . . 0.0 111.416 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -61.63 -43.62 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 120.238 1.381 . . . . 0.0 109.157 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -57.53 -39.03 75.71 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.687 1.195 . . . . 0.0 111.684 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.8 p -100.44 -3.33 31.15 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -169.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -132.52 -25.48 1.92 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.511 1.051 . . . . 0.0 113.347 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.3 mt -121.21 -31.95 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.24 0.927 . . . . 0.0 110.792 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 pt -124.0 9.54 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.861 0.865 . . . . 0.0 111.255 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.05 -35.28 64.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.031 0.932 . . . . 0.0 111.522 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.58 2.26 22.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 112.415 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.83 138.0 50.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.172 1.389 . . . . 0.0 109.281 -169.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -126.91 -6.58 6.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.747 1.219 . . . . 0.0 111.379 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.93 148.58 51.81 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.777 1.231 . . . . 0.0 108.87 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -54.8 -33.19 61.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.88 -42.29 90.5 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.688 1.131 . . . . 0.0 109.696 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -66.75 -38.44 86.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.131 0.572 . . . . 0.0 109.615 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -70.68 -29.65 66.02 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.643 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.94 94.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.018 0.826 . . . . 0.0 109.342 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.39 -39.3 85.58 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.707 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.0 -52.44 46.78 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 119.445 1.02 . . . . 0.0 111.179 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.27 -53.58 48.76 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.412 0.685 . . . . 0.0 111.206 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -55.85 -48.08 76.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.18 0.592 . . . . 0.0 111.047 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.68 -51.76 67.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.35 0.523 . . . . 0.0 110.053 -173.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -36.39 71.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.565 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.29 -51.7 62.24 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.722 0.692 . . . . 0.0 109.812 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.32 -39.78 84.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.633 0.651 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.3 -25.41 67.61 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -94.46 -35.61 12.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.727 0.811 . . . . 0.0 111.955 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.5 121.19 10.9 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.918 0.781 . . . . 0.0 108.919 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.51 48.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.933 1.293 . . . . 0.0 109.447 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -63.99 155.44 78.19 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 0.0 111.568 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.98 153.72 91.04 Favored 'Cis proline' 0 CA--C 1.538 0.68 0 CA-C-N 119.325 0.795 . . . . 0.0 111.185 -9.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -143.44 -171.69 3.55 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.086 1.354 . . . . 0.0 108.663 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ptm -129.81 167.04 18.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.546 1.066 . . . . 0.0 111.798 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.79 -176.43 37.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-O 122.182 0.879 . . . . 0.0 111.706 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -118.44 120.65 38.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.43 108.99 10.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -82.14 48.49 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.16 1.784 . . . . 0.0 108.539 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -55.54 122.92 12.38 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 124.138 0.975 . . . . 0.0 110.496 -168.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -80.95 38.6 0.46 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.716 0.806 . . . . 0.0 111.895 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m 43.2 -129.94 0.72 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.763 1.625 . . . . 0.0 111.715 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -122.38 -138.88 0.31 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -52.83 -26.76 15.52 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.506 1.048 . . . . 0.0 111.717 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -51.71 -26.85 10.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.281 1.833 . . . . 0.0 113.599 171.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m 58.54 1.56 0.18 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.278 2.231 . . . . 0.0 116.691 169.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.5 m -80.82 141.75 34.37 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mt -77.32 144.01 12.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.981 0.896 . . . . 0.0 109.483 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -127.69 154.63 45.08 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.059 2.143 . . . . 0.0 105.47 169.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.73 107.1 9.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -111.52 120.62 42.75 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -71.02 132.97 45.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.75 155.44 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.261 0.624 . . . . 0.0 111.379 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -107.91 115.75 30.71 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.36 114.14 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.1 mt -79.98 -28.24 39.54 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.249 0.62 . . . . 0.0 112.211 -169.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.37 177.7 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.2 mtp -64.4 149.58 48.09 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.673 . . . . 0.0 110.358 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 168.97 9.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.701 0.801 . . . . 0.0 109.311 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -47.99 141.53 16.99 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 170.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.88 -28.98 64.66 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.94 -31.25 70.79 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.396 1.078 . . . . 0.0 112.478 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.08 -32.02 21.61 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.887 -0.508 . . . . 0.0 110.119 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.29 18.64 0.2 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.61 -13.71 61.85 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.203 1.401 . . . . 0.0 112.434 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.47 -23.54 0.98 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.98 152.2 32.16 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -78.62 81.25 4.95 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -75.99 150.35 37.44 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.891 0.476 . . . . 0.0 110.221 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.54 142.06 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.306 1.042 . . . . 0.0 108.988 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.51 144.29 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -150.57 139.7 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -169.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.76 135.24 50.3 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -84.82 71.18 10.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.975 0.91 . . . . 0.0 109.921 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.6 pt -60.38 -9.78 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.97 -15.3 49.26 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 118.5 -1.166 . . . . 0.0 112.917 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -17.29 0.22 Allowed Glycine 0 CA--C 1.529 0.936 0 CA-C-N 119.254 1.527 . . . . 0.0 115.935 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -137.64 -44.53 0.54 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.596 1.698 . . . . 0.0 110.97 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.06 -26.74 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.384 3.074 . . . . 0.0 115.495 -171.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.52 7.33 22.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.81 1.644 . . . . 0.0 111.811 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -134.73 162.07 33.38 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.934 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.87 148.37 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.831 1.653 . . . . 0.0 109.848 -168.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -138.63 -170.44 2.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.689 2.395 . . . . 0.0 108.284 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.5 m -123.38 146.87 47.63 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.71 159.69 40.84 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.649 1.179 . . . . 0.0 110.042 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -81.19 127.25 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.88 -31.98 69.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.877 1.217 . . . . 0.0 109.992 171.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -51.93 -16.13 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.362 2.665 . . . . 0.0 114.517 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -124.21 13.85 8.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 111.556 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.08 156.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 125.66 1.584 . . . . 0.0 109.349 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.0 119.23 28.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 140.59 38.23 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.9 mt -130.87 144.11 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 124.81 1.244 . . . . 0.0 108.426 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.7 37.9 21.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.567 1.547 . . . . 0.0 113.27 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.81 168.92 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.72 152.0 45.27 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.994 0.918 . . . . 0.0 110.446 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.7 -42.43 75.23 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.194 0.998 . . . . 0.0 112.023 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -73.26 -28.89 62.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.207 0.912 . . . . 0.0 111.008 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.2 m -70.24 -50.55 38.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -44.78 90.58 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.07 -39.6 94.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.392 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.52 97.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.691 1.132 . . . . 0.0 110.602 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.37 -45.78 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.22 90.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.068 0.547 . . . . 0.0 110.069 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.55 -37.33 82.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.126 0.571 . . . . 0.0 111.882 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -59.43 -46.66 88.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.722 0.692 . . . . 0.0 110.266 170.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.07 -40.78 97.02 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.14 -0.35 . . . . 0.0 110.256 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.61 -43.36 97.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.478 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -60.1 -41.68 93.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.275 0.943 . . . . 0.0 110.836 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.64 -43.36 93.88 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.39 -39.25 71.29 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.763 1.225 . . . . 0.0 112.555 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -56.97 -32.34 65.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.552 1.541 . . . . 0.0 111.336 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.03 79.74 0.04 OUTLIER Glycine 0 C--N 1.334 0.46 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -55.97 135.49 52.4 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.419 0.609 . . . . 0.0 111.004 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -134.92 -26.29 1.34 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.857 1.263 . . . . 0.0 111.282 169.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.5 p90 . . . . . 0 C--O 1.249 1.031 0 C-N-CA 128.583 2.753 . . . . 0.0 106.013 -176.226 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.58 30.28 6.37 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.505 1.522 . . . . 0.0 113.222 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -77.46 41.48 0.32 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.937 2.095 . . . . 0.0 112.723 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.04 28.98 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 126.332 1.853 . . . . 0.0 109.751 -172.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -58.35 138.46 56.47 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -73.21 -56.66 4.79 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -165.92 149.2 7.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.52 -30.18 62.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.128 0.876 . . . . 0.0 111.698 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 m -54.76 -45.11 74.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.836 0.855 . . . . 0.0 111.051 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -64.77 -43.07 94.46 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.311 0.96 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -66.18 -43.5 86.71 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.46 -50.27 73.44 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.907 -0.496 . . . . 0.0 110.638 173.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -65.56 -41.72 92.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.603 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 tt -62.9 -43.35 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 120.179 1.354 . . . . 0.0 108.933 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -60.49 -37.43 81.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.038 0.535 . . . . 0.0 111.569 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -100.97 -1.31 34.75 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -136.12 -19.49 1.5 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.603 1.092 . . . . 0.0 113.351 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -120.73 -33.75 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.776 1.171 . . . . 0.0 111.582 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.67 13.18 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 118.956 0.798 . . . . 0.0 112.049 173.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.69 -35.54 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.7 0.8 . . . . 0.0 111.864 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.32 -0.51 25.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.207 1.403 . . . . 0.0 112.66 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.5 150.95 49.91 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.958 1.303 . . . . 0.0 110.114 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.88 5.0 2.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.712 0.805 . . . . 0.0 112.372 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.79 148.12 48.61 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.972 1.309 . . . . 0.0 108.023 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.52 -36.36 55.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.54 -43.09 73.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.435 1.016 . . . . 0.0 109.429 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -68.04 -38.93 83.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.38 0.672 . . . . 0.0 109.582 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.43 -29.33 64.76 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.795 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.2 91.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.969 0.804 . . . . 0.0 109.626 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mmt -67.18 -38.01 84.66 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.593 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.74 46.83 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 119.226 0.921 . . . . 0.0 111.295 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -53.34 -53.54 49.54 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.454 0.702 . . . . 0.0 110.972 171.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.141 0.577 . . . . 0.0 111.223 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.83 -50.88 64.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.49 0.586 . . . . 0.0 110.387 -171.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.18 76.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.182 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.23 -51.9 64.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.427 0.558 . . . . 0.0 109.896 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.24 -40.1 84.87 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.534 0.606 . . . . 0.0 111.016 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.41 -25.18 67.43 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -94.03 -36.55 12.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.89 0.876 . . . . 0.0 111.908 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.66 120.6 9.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.792 . . . . 0.0 109.105 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.92 49.22 1.33 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.918 1.287 . . . . 0.0 109.242 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -63.22 155.43 73.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 124.215 1.006 . . . . 0.0 111.423 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.76 156.14 92.92 Favored 'Cis proline' 0 CA--C 1.538 0.701 0 CA-C-N 119.384 0.816 . . . . 0.0 111.481 -9.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -145.24 -170.11 3.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.049 1.34 . . . . 0.0 109.106 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ptm -133.65 167.88 19.69 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.24 0.927 . . . . 0.0 111.601 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.17 -178.32 38.86 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 121.904 0.724 . . . . 0.0 112.349 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.2 123.54 49.14 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 169.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -76.22 102.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -77.55 52.56 0.99 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.846 1.659 . . . . 0.0 109.453 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -54.2 115.34 2.01 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 123.63 0.772 . . . . 0.0 110.627 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -69.72 124.52 24.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.8 m -64.44 139.29 58.75 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.068 0.547 . . . . 0.0 111.212 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 13.01 -91.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 130.029 3.332 . . . . 0.0 112.933 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -130.64 -0.24 4.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.277 1.431 . . . . 0.0 110.63 170.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -73.34 -23.42 60.23 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.355 1.462 . . . . 0.0 111.052 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.7 m 65.28 0.49 1.34 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.933 2.093 . . . . 0.0 114.908 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -56.97 130.56 46.56 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.9 mt -81.37 138.48 19.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 122.111 0.958 . . . . 0.0 108.907 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -112.98 152.82 28.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 169.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -131.05 115.91 17.07 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -169.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -129.42 126.48 38.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -71.94 134.24 45.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.03 155.63 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.328 0.651 . . . . 0.0 111.096 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -108.51 135.77 49.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.18 115.09 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -169.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.66 -26.2 32.36 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.149 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.99 -178.79 31.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -63.46 149.7 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.644 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.13 169.65 9.5 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.52 139.39 17.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.55 2.167 . . . . 0.0 112.0 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.16 -28.29 64.6 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.196 0.599 . . . . 0.0 111.196 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.79 -32.87 69.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.752 1.221 . . . . 0.0 112.424 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.12 -30.39 21.12 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.903 0.481 . . . . 0.0 110.236 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.33 20.67 0.39 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.155 0.982 . . . . 0.0 113.22 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -8.62 55.83 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.526 1.531 . . . . 0.0 113.348 -173.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -149.44 -21.56 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.79 143.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -173.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.97 128.6 33.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.685 0.675 . . . . 0.0 109.434 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -125.78 153.09 44.53 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.362 1.065 . . . . 0.0 109.35 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.36 144.86 32.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 124.227 1.011 . . . . 0.0 109.398 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.61 138.71 43.14 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 169.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.48 129.07 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -169.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.05 132.13 43.86 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -88.76 71.57 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.36 0.6 . . . . 0.0 110.69 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 pt -60.84 -5.7 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.24 -10.21 49.05 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.765 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.57 -16.02 0.08 OUTLIER Glycine 0 CA--C 1.532 1.11 0 CA-C-N 119.532 1.666 . . . . 0.0 116.252 -170.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -138.34 -38.97 0.53 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.023 1.912 . . . . 0.0 111.631 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.01 -24.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.25 3.02 . . . . 0.0 115.968 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -120.18 12.23 11.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.95 1.7 . . . . 0.0 111.165 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -138.03 161.24 37.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.457 1.103 . . . . 0.0 110.628 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.75 149.67 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.572 1.549 . . . . 0.0 110.842 -168.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -142.09 -167.22 2.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.94 2.496 . . . . 0.0 108.047 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -123.15 147.69 46.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.82 155.57 48.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.447 1.099 . . . . 0.0 109.656 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -74.8 125.65 29.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.76 -2.311 . . . . 0.0 104.76 171.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.01 -35.08 74.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.209 0.913 . . . . 0.0 109.403 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -52.24 -11.19 0.16 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.837 3.255 . . . . 0.0 114.52 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -128.14 13.05 6.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.438 1.095 . . . . 0.0 112.079 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.32 157.41 22.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.95 1.7 . . . . 0.0 108.901 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -125.06 135.9 53.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.71 142.54 27.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.5 mt -129.82 143.23 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.998 1.319 . . . . 0.0 108.246 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.51 36.71 21.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.523 1.529 . . . . 0.0 113.162 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.4 p -110.51 169.96 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.991 0.916 . . . . 0.0 110.421 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.39 150.94 47.46 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.453 0.701 . . . . 0.0 110.286 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.13 -41.93 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.086 0.954 . . . . 0.0 111.859 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -73.41 -28.29 61.92 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.247 0.931 . . . . 0.0 111.074 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.2 m -70.17 -50.23 42.36 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.51 -45.63 88.39 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.21 -39.81 95.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.406 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.3 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.591 1.087 . . . . 0.0 110.536 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.26 -46.55 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.94 93.02 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.026 0.531 . . . . 0.0 110.409 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.12 -37.32 85.44 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.541 0.736 . . . . 0.0 111.539 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -62.26 -46.58 88.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.695 0.68 . . . . 0.0 110.669 171.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.65 -42.41 99.58 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.999 -0.438 . . . . 0.0 110.124 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -62.46 -48.73 78.35 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.244 0.475 . . . . 0.0 109.848 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -52.58 -45.18 66.38 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.352 0.661 . . . . 0.0 110.948 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -43.92 93.97 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.33 -24.62 66.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 123.161 0.584 . . . . 0.0 112.459 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -64.65 -24.3 67.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.502 1.046 . . . . 0.0 111.869 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 134.33 84.3 0.21 Allowed Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -50.59 126.15 14.77 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.488 1.115 . . . . 0.0 110.806 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -143.22 -25.81 0.59 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.365 1.066 . . . . 0.0 112.398 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 29.6 p90 . . . . . 0 C--O 1.256 1.398 0 C-N-CA 127.233 2.213 . . . . 0.0 106.246 169.607 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.45 -10.96 59.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 54.87 31.31 15.48 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.95 1.3 . . . . 0.0 113.428 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -53.94 -33.16 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.039 1.335 . . . . 0.0 111.411 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -142.58 144.48 32.89 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -142.78 8.86 1.73 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -170.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.55 110.53 7.92 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.7 -20.32 47.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.153 0.981 . . . . 0.0 112.194 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -55.87 -37.98 69.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.091 0.86 . . . . 0.0 111.057 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -68.2 -42.28 80.11 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.778 1.172 . . . . 0.0 110.088 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.61 -42.86 95.26 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -59.51 -51.85 68.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.674 0.79 . . . . 0.0 110.34 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.02 -49.52 69.85 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.452 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 tt -60.13 -40.33 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 119.377 0.99 . . . . 0.0 110.095 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -61.09 -41.97 97.64 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.851 0.86 . . . . 0.0 111.172 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.1 p -97.14 6.55 48.31 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -169.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -131.94 -29.3 1.68 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.027 0.83 . . . . 0.0 112.898 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mm -109.8 -32.53 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 119.366 0.985 . . . . 0.0 111.61 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 pt -132.62 22.2 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 124.09 0.956 . . . . 0.0 112.624 -167.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -55.88 -35.03 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.537 0.735 . . . . 0.0 112.306 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.9 2.97 56.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.714 1.206 . . . . 0.0 111.929 -172.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.05 141.41 50.73 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.517 1.127 . . . . 0.0 109.965 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.65 6.93 2.51 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.995 0.918 . . . . 0.0 112.11 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -136.03 147.58 47.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.119 1.368 . . . . 0.0 107.911 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -33.5 46.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.99 -44.12 70.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.527 1.058 . . . . 0.0 109.248 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -69.37 -38.26 77.97 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.163 0.585 . . . . 0.0 109.693 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.5 -28.95 64.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.509 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.88 95.46 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.183 0.901 . . . . 0.0 109.364 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -67.3 -39.93 86.0 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.804 0.729 . . . . 0.0 111.844 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.4 50.58 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -53.69 -53.13 56.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.435 0.694 . . . . 0.0 110.671 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.99 -51.43 67.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.592 0.757 . . . . 0.0 111.292 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -70.64 -41.49 72.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.904 -169.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.89 1.223 . . . . 0.0 110.372 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.72 -53.95 43.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.467 0.576 . . . . 0.0 109.569 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.25 -40.44 85.98 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.695 0.68 . . . . 0.0 111.207 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.53 -27.19 68.79 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -86.75 -38.26 17.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.651 0.78 . . . . 0.0 111.173 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.4 mt -56.96 121.73 10.64 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.52 0.728 . . . . 0.0 109.852 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.67 52.11 0.97 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.587 1.955 . . . . 0.0 108.702 170.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -69.67 153.31 95.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 121.015 -1.053 . . . . 0.0 110.913 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.47 152.83 94.44 Favored 'Cis proline' 0 CA--C 1.538 0.723 0 CA-C-N 119.34 0.8 . . . . 0.0 110.711 -10.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.88 -170.78 3.1 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.839 1.256 . . . . 0.0 108.627 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 ptm -131.73 166.02 22.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 119.508 1.049 . . . . 0.0 111.594 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.0 -178.01 37.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 121.872 0.707 . . . . 0.0 112.346 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -117.73 121.09 39.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -78.29 107.73 11.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -81.11 53.31 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.603 1.561 . . . . 0.0 108.473 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.29 133.26 55.94 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.608 0.763 . . . . 0.0 109.476 -169.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -79.13 50.51 1.06 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.834 0.743 . . . . 0.0 111.354 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 m 44.31 -108.27 0.13 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.576 1.95 . . . . 0.0 111.345 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -127.15 40.74 3.65 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.814 1.246 . . . . 0.0 108.543 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.8 mttp 56.55 50.22 13.29 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.004 1.322 . . . . 0.0 109.066 -169.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -122.89 32.98 5.54 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.99 1.716 . . . . 0.0 110.251 -170.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 m 53.01 31.52 11.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.237 1.415 . . . . 0.0 113.087 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.4 m -143.51 154.23 43.42 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.904 1.682 . . . . 0.0 106.492 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 mt -122.04 142.63 37.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -114.43 151.25 33.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 105.732 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -126.91 89.36 2.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -169.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -94.25 118.42 31.55 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 m -69.68 133.49 47.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.45 153.94 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 111.813 -171.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -104.54 133.15 49.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -109.6 111.37 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.6 -27.39 55.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.065 0.546 . . . . 0.0 111.768 -169.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.41 179.37 29.64 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.0 mtp -64.0 151.68 42.19 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.372 -0.487 . . . . 0.0 110.393 170.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 173.91 2.65 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.607 0.763 . . . . 0.0 109.15 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.32 144.19 31.59 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.133 1.889 . . . . 0.0 111.724 171.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -29.71 64.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.066 0.546 . . . . 0.0 111.062 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.67 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.84 0.856 . . . . 0.0 112.41 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -75.81 -42.58 49.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.73 24.68 0.37 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 114.297 -169.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -8.65 50.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.91 1.284 . . . . 0.0 111.984 173.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -138.57 -29.92 0.78 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.067 0.947 . . . . 0.0 112.963 -169.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -154.72 151.2 28.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.6 mmt -80.18 82.73 6.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -78.09 151.91 33.16 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.637 -0.665 . . . . 0.0 110.603 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -134.9 144.36 34.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.629 1.172 . . . . 0.0 109.042 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.03 139.34 40.02 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.6 p -145.36 139.26 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -169.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.25 137.55 52.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.624 1.17 . . . . 0.0 108.815 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -86.32 68.78 10.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.503 1.121 . . . . 0.0 110.626 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 pt -59.09 -16.84 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.696 -0.627 . . . . 0.0 112.412 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.72 -5.0 88.57 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.895 1.236 . . . . 0.0 113.133 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.42 -90.04 0.07 OUTLIER Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.459 1.63 . . . . 0.0 111.525 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.3 -38.51 77.21 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.051 0.926 . . . . 0.0 112.11 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 59.7 -24.51 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 130.357 3.463 . . . . 0.0 116.353 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.14 14.27 9.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.236 1.814 . . . . 0.0 110.806 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -134.9 161.32 35.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.851 1.26 . . . . 0.0 110.08 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.51 151.25 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.776 1.23 . . . . 0.0 110.522 -168.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.97 -169.42 3.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.858 2.463 . . . . 0.0 108.264 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 m -122.79 147.0 47.03 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 160.91 37.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.662 1.185 . . . . 0.0 109.865 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 126.68 31.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 171.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.39 -32.36 68.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.41 1.005 . . . . 0.0 109.095 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -52.79 -13.93 0.48 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.94 2.896 . . . . 0.0 114.331 172.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -127.34 12.83 7.07 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.619 1.168 . . . . 0.0 112.024 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mt -120.09 157.77 22.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 126.209 1.804 . . . . 0.0 108.822 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -124.78 134.91 52.61 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.27 141.88 30.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.12 140.39 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.854 1.262 . . . . 0.0 108.159 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 53.25 35.34 19.81 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.67 1.588 . . . . 0.0 113.474 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.4 p -105.67 168.08 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.79 0.836 . . . . 0.0 110.392 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 156.76 34.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.512 0.725 . . . . 0.0 110.779 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.6 -40.78 84.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.39 0.676 . . . . 0.0 112.539 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.61 -40.79 76.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.274 0.943 . . . . 0.0 110.486 -176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 m -60.76 -51.03 71.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.5 1.12 . . . . 0.0 109.963 173.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.17 -45.14 94.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.262 0.483 . . . . 0.0 109.781 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.75 -37.39 87.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.717 0.69 . . . . 0.0 111.548 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.87 96.0 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.186 0.903 . . . . 0.0 110.117 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.68 -47.24 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.69 0.796 . . . . 0.0 109.142 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.37 92.22 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.419 0.687 . . . . 0.0 110.217 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.79 -32.65 72.53 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 118.13 -0.938 . . . . 0.0 112.039 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -62.45 -46.53 88.1 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.031 1.287 . . . . 0.0 110.297 170.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.8 -46.16 89.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.44 -44.96 95.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.132 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -55.52 -40.89 72.4 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.955 1.252 . . . . 0.0 110.935 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.46 -39.01 86.02 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.34 51.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.162 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -63.81 -32.82 74.45 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 120.79 -1.194 . . . . 0.0 110.536 171.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.57 113.57 0.52 Allowed Glycine 0 CA--C 1.519 0.33 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.7 60.57 1.29 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.006 1.322 . . . . 0.0 109.843 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -70.57 -32.91 70.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.176 -0.953 . . . . 0.0 110.399 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.1 p90 . . . . . 0 C--O 1.248 0.988 0 C-N-CA 127.963 2.505 . . . . 0.0 106.475 179.266 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.58 0.229 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.41 74.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.224 0.61 . . . . 0.0 112.231 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -64.67 134.01 53.36 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.055 0.542 . . . . 0.0 111.297 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.79 -0.6 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.505 1.922 . . . . 0.0 111.407 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.07 146.41 54.22 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.311 1.445 . . . . 0.0 109.714 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -144.17 -24.73 0.54 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -158.05 142.63 16.23 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.338 0.972 . . . . 0.0 108.484 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.71 -21.61 66.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.257 1.023 . . . . 0.0 112.954 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -54.38 -38.98 66.77 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 119.12 0.873 . . . . 0.0 111.844 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -61.24 -46.91 88.46 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.175 0.59 . . . . 0.0 109.848 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -43.4 84.71 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -60.62 -49.74 76.32 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.158 0.583 . . . . 0.0 110.751 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.65 -46.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 121.604 -0.685 . . . . 0.0 110.56 -173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tt -62.47 -43.21 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.84 -37.3 86.27 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.714 0.806 . . . . 0.0 111.814 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 p -97.13 -6.99 33.69 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -135.06 -20.94 1.66 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.759 1.163 . . . . 0.0 114.042 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -115.18 -33.88 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 120.173 1.351 . . . . 0.0 111.723 -169.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 17.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 119.545 1.066 . . . . 0.0 112.113 173.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.32 -39.08 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.71 0.804 . . . . 0.0 112.352 -175.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.6 -14.38 56.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.217 1.007 . . . . 0.0 112.478 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.32 162.9 28.01 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.471 0.709 . . . . 0.0 111.997 -173.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.04 -30.7 0.79 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.616 1.166 . . . . 0.0 111.187 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.27 155.37 42.02 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.246 1.418 . . . . 0.0 108.813 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HZ3' ' C ' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -55.71 -28.35 55.25 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.736 -176.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.8 -41.81 86.99 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 120.091 1.314 . . . . 0.0 108.971 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.44 -37.76 80.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.307 0.643 . . . . 0.0 109.944 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.06 -39.15 89.87 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.551 -0.718 . . . . 0.0 110.768 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.6 94.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.141 -0.456 . . . . 0.0 109.783 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -63.35 -42.11 98.89 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.627 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.08 -52.22 50.6 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.299 0.954 . . . . 0.0 111.434 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -52.67 -54.73 29.41 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.523 0.729 . . . . 0.0 110.599 171.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -56.28 -46.06 79.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.41 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -61.98 -52.71 62.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.908 0.776 . . . . 0.0 110.005 -173.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -37.39 74.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.206 -177.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.02 -51.7 55.95 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.24 0.616 . . . . 0.0 110.144 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.4 -39.13 89.59 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.424 0.69 . . . . 0.0 110.924 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.95 -27.63 68.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.5 m -83.06 -43.6 16.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.402 0.681 . . . . 0.0 110.87 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.97 119.61 5.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.587 1.155 . . . . 0.0 110.104 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.49 41.79 0.41 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.75 0.82 . . . . 0.0 111.268 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -58.4 154.21 34.17 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.032 0.933 . . . . 0.0 112.012 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -70.0 157.94 92.22 Favored 'Cis proline' 0 CA--C 1.537 0.663 0 CA-C-N 119.562 0.879 . . . . 0.0 111.85 -6.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -147.79 -165.92 2.39 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.579 1.552 . . . . 0.0 108.132 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.2 ptm -134.42 170.46 15.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 119.302 0.956 . . . . 0.0 112.31 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.15 -177.63 38.94 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-O 122.134 0.852 . . . . 0.0 111.708 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -117.15 118.64 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.32 109.2 11.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -81.17 47.89 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.75 1.62 . . . . 0.0 108.472 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.09 116.7 2.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.896 0.878 . . . . 0.0 111.475 -168.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.9 120.43 11.92 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 p -108.7 -18.91 13.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -168.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -147.15 159.31 43.77 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.699 1.136 . . . . 0.0 109.006 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.73 -19.66 62.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.975 0.91 . . . . 0.0 112.51 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -66.52 3.48 0.96 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.071 1.748 . . . . 0.0 113.126 169.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m 61.0 25.04 15.11 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.664 1.586 . . . . 0.0 112.016 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 m -62.64 153.93 30.76 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mt -128.94 140.89 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.335 0.654 . . . . 0.0 109.289 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.82 106.85 17.57 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 169.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -82.32 94.79 7.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -97.93 118.09 33.71 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -69.11 132.39 46.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.81 146.88 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.253 0.621 . . . . 0.0 110.916 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.74 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 103.583 -2.747 . . . . 0.0 103.583 168.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.9 107.74 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.19 -30.59 63.64 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.26 0.624 . . . . 0.0 111.009 -169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 -178.07 33.2 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.97 154.36 34.32 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.347 0.594 . . . . 0.0 110.197 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 174.32 2.27 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.329 1.452 . . . . 0.0 111.566 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.61 153.35 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.62 2.88 . . . . 0.0 113.715 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.47 -39.82 61.6 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.663 1.185 . . . . 0.0 110.74 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.49 -31.85 67.59 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.039 0.936 . . . . 0.0 111.816 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.48 -44.52 57.77 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.5 m -70.82 1.14 5.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.874 0.87 . . . . 0.0 113.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -83.65 -9.04 59.15 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.055 1.742 . . . . 0.0 111.983 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.34 -24.96 0.95 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -157.47 156.79 32.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.205 1.402 . . . . 0.0 107.424 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -82.98 121.8 27.47 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 119.459 1.027 . . . . 0.0 109.185 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.08 155.16 46.63 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.2 1.0 . . . . 0.0 109.397 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.41 144.82 31.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.476 1.11 . . . . 0.0 108.83 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.24 137.96 35.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 m -142.54 138.81 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.405 0.682 . . . . 0.0 110.481 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.02 135.5 48.47 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.45 65.89 6.78 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 124.37 1.068 . . . . 0.0 110.477 -173.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 pt -58.77 -14.29 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.378 -0.826 . . . . 0.0 112.801 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.77 64.47 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.234 -1.314 . . . . 0.0 113.202 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.56 -25.78 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.555 1.677 . . . . 0.0 115.904 -169.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.45 -40.2 0.46 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.626 1.713 . . . . 0.0 111.607 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.4 t70 60.21 -32.89 0.07 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.683 3.193 . . . . 0.0 115.402 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.83 2.39 56.21 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.518 1.527 . . . . 0.0 113.203 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -138.2 163.43 31.75 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.238 -0.914 . . . . 0.0 110.407 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.79 151.35 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 125.553 1.541 . . . . 0.0 109.988 -169.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -144.25 -173.53 4.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.642 2.377 . . . . 0.0 107.6 -172.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.9 m -123.47 147.82 46.8 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.89 150.17 49.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.976 1.311 . . . . 0.0 109.133 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 132.62 43.84 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.24 -30.16 69.23 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 m -53.57 -20.82 5.54 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.804 2.041 . . . . 0.0 114.055 173.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -114.52 14.72 17.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.792 0.724 . . . . 0.0 111.738 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mt -121.65 153.99 25.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 124.81 1.244 . . . . 0.0 109.781 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.06 119.12 27.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 139.12 38.53 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.58 147.07 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.762 1.225 . . . . 0.0 108.114 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.96 39.98 24.14 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.332 1.453 . . . . 0.0 112.779 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.46 166.44 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.232 1.013 . . . . 0.0 109.685 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.64 151.22 47.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 122.957 0.503 . . . . 0.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.67 -40.4 69.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.144 0.978 . . . . 0.0 111.871 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.36 -30.05 63.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.028 0.831 . . . . 0.0 111.24 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 65.7 m -70.14 -48.87 55.59 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -46.47 86.92 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.33 -35.96 82.58 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.505 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.36 87.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.571 1.078 . . . . 0.0 110.489 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.94 -42.78 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.23 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.502 0.592 . . . . 0.0 110.542 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.27 -37.0 77.68 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.649 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -60.87 -45.09 95.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.737 0.699 . . . . 0.0 109.955 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.27 -41.27 98.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.389 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.45 -47.47 83.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.04 0.836 . . . . 0.0 110.44 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -56.73 -44.82 82.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.439 0.563 . . . . 0.0 111.17 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.74 -42.55 77.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.73 97.38 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.035 0.934 . . . . 0.0 111.672 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -60.23 -32.3 71.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.494 0.718 . . . . 0.0 110.458 173.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 147.69 135.45 2.64 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.044 0.831 . . . . 0.0 111.443 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -68.11 104.61 1.83 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 168.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -139.66 -2.98 1.51 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.401 ' C ' ' HZ3' ' A' ' 25' ' ' LYS . 18.2 m-30 . . . . . 0 C--O 1.246 0.896 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 169.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 120.516 0.198 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.91 139.27 56.45 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -134.91 7.35 3.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.886 0.874 . . . . 0.0 112.547 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 m -54.95 106.67 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 125.669 1.588 . . . . 0.0 109.854 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 51.92 31.82 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.389 1.876 . . . . 0.0 112.577 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -77.22 73.27 3.79 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.116 1.366 . . . . 0.0 109.334 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.98 142.55 29.91 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.304 1.442 . . . . 0.0 108.228 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.34 -28.57 68.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.45 94.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.153 0.888 . . . . 0.0 109.151 177.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.71 -37.57 76.61 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.718 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -50.21 73.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.613 0.642 . . . . 0.0 110.309 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -65.87 -48.34 71.89 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.547 0.339 . . . . 0.0 110.501 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -63.56 -48.95 75.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.624 0.647 . . . . 0.0 111.496 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tt -61.02 -41.65 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -61.52 -54.13 47.31 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -73.95 -1.59 20.4 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -117.63 -24.87 7.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.001 -0.999 . . . . 0.0 112.874 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -122.08 -32.81 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 120.097 1.317 . . . . 0.0 112.318 -169.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.46 41.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 122.325 1.06 . . . . 0.0 110.375 -175.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -53.05 -45.14 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 127.564 2.346 . . . . 0.0 112.581 -169.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -129.48 -18.66 3.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 112.089 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 139.32 58.76 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 169.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.63 4.59 2.85 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -170.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.14 147.08 52.57 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.086 1.354 . . . . 0.0 107.815 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.81 31.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -176.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.86 -45.73 56.71 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 120.057 1.299 . . . . 0.0 109.435 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.92 -37.4 85.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.018 0.527 . . . . 0.0 109.89 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -72.51 -32.24 65.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.281 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.086 0.857 . . . . 0.0 109.264 170.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.3 mmt -62.91 -43.4 98.9 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.504 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.27 -52.15 51.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 119.657 1.117 . . . . 0.0 111.494 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -56.87 -48.27 78.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.019 0.528 . . . . 0.0 110.949 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.67 -46.42 84.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.046 0.538 . . . . 0.0 111.097 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.32 -52.77 63.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 118.597 0.635 . . . . 0.0 110.249 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -37.72 77.43 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.006 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.08 -51.0 62.14 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.659 0.663 . . . . 0.0 110.037 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.02 -37.35 82.26 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.412 0.551 . . . . 0.0 110.933 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.41 -25.18 65.81 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 m -94.41 -33.36 13.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.703 0.801 . . . . 0.0 111.538 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.71 117.77 5.77 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.4 53.21 2.43 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.715 0.806 . . . . 0.0 109.023 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -60.73 157.64 37.33 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.784 1.234 . . . . 0.0 111.83 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.19 155.24 91.77 Favored 'Cis proline' 0 C--N 1.349 0.602 0 CA-C-N 119.341 0.8 . . . . 0.0 111.501 -8.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.91 -168.74 2.85 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.111 1.364 . . . . 0.0 108.615 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -136.09 168.89 18.53 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.428 1.013 . . . . 0.0 111.943 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.68 -177.32 39.01 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-O 122.127 0.849 . . . . 0.0 111.484 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -116.48 121.47 41.93 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -75.59 107.27 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 169.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.51 52.86 2.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.759 1.623 . . . . 0.0 107.586 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -52.14 117.83 3.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.367 1.467 . . . . 0.0 109.932 -168.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -68.03 169.22 10.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.415 0.626 . . . . 0.0 110.065 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -43.1 145.57 0.5 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 128.134 2.573 . . . . 0.0 114.597 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -80.11 -60.98 2.13 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.991 0.916 . . . . 0.0 108.593 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -154.56 47.71 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.11 2.564 . . . . 0.0 104.475 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -136.65 -160.83 1.09 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.448 2.299 . . . . 0.0 108.574 -168.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -138.9 51.26 1.81 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.752 1.221 . . . . 0.0 108.048 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -144.76 121.12 10.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.835 0.854 . . . . 0.0 109.127 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.1 mt -72.8 146.61 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 169.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -116.52 155.5 28.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.073 1.749 . . . . 0.0 106.397 169.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.12 106.1 8.38 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -113.0 119.09 36.7 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -69.06 132.01 45.94 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.09 145.99 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.17 0.588 . . . . 0.0 110.822 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -96.8 130.7 44.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 168.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.25 114.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.96 -29.12 35.41 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.013 0.525 . . . . 0.0 111.68 -169.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.38 178.34 30.42 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.9 mtp -67.77 152.05 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.288 -0.537 . . . . 0.0 110.799 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 168.75 20.13 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 124.483 1.113 . . . . 0.0 111.557 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.08 156.67 7.16 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.682 2.922 . . . . 0.0 114.683 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -46.1 -37.3 6.69 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.585 1.954 . . . . 0.0 111.923 170.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.52 -19.54 57.36 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.205 1.002 . . . . 0.0 113.427 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -122.38 -34.09 3.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.171 0.988 . . . . 0.0 110.465 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.63 -1.48 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 175.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.36 -9.8 58.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.423 1.489 . . . . 0.0 112.354 171.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.32 -28.2 1.51 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.774 1.17 . . . . 0.0 113.615 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -154.32 154.99 34.3 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.574 1.079 . . . . 0.0 109.66 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -80.29 78.16 6.99 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.956 0.902 . . . . 0.0 108.905 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -82.39 153.68 25.6 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.309 0.643 . . . . 0.0 110.163 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.01 145.96 30.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 124.898 1.279 . . . . 0.0 108.695 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.69 140.02 34.58 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.72 143.88 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.385 0.674 . . . . 0.0 110.394 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.37 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -81.72 65.81 7.02 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 111.104 -171.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 pt -58.69 -17.76 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 121.546 -0.721 . . . . 0.0 112.515 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.37 -4.18 88.12 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.908 1.242 . . . . 0.0 113.046 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.99 -96.69 0.13 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 119.185 1.493 . . . . 0.0 111.14 -174.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -60.93 -34.98 75.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 117.632 0.716 . . . . 0.0 112.611 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.23 -26.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.362 3.465 . . . . 0.0 116.661 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.24 10.77 16.05 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.815 1.646 . . . . 0.0 111.385 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.54 164.48 28.62 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.321 1.048 . . . . 0.0 109.834 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.39 148.14 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.409 1.484 . . . . 0.0 109.648 -169.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -143.9 -170.64 3.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.589 2.356 . . . . 0.0 107.849 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.1 m -125.84 147.48 49.43 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.09 158.99 43.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.08 1.352 . . . . 0.0 109.706 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -80.71 126.27 31.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.65 -34.49 71.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.506 1.048 . . . . 0.0 109.752 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -52.63 -16.99 1.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.03 2.532 . . . . 0.0 114.346 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.79 12.95 9.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.488 1.115 . . . . 0.0 111.153 -173.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.52 154.18 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 125.677 1.591 . . . . 0.0 109.34 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.32 118.25 30.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.48 139.55 38.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.24 139.8 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.737 1.215 . . . . 0.0 107.909 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.9 t70 58.23 21.11 7.79 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.711 1.604 . . . . 0.0 113.79 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -75.67 163.73 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.269 1.028 . . . . 0.0 111.962 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.45 157.31 38.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.485 169.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.69 -43.91 80.98 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 112.059 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.38 -29.03 62.35 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.27 0.941 . . . . 0.0 110.766 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.9 m -68.07 -50.86 52.48 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.92 -46.65 84.69 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.593 0.633 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.4 -37.05 85.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.065 0.546 . . . . 0.0 111.104 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.0 86.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.025 0.83 . . . . 0.0 110.493 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.61 -46.57 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.34 91.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.306 0.643 . . . . 0.0 110.444 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.86 -37.32 84.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.771 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -61.56 -46.13 91.2 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.446 0.567 . . . . 0.0 110.502 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -44.1 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.043 0.383 . . . . 0.0 109.988 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.58 -42.18 98.33 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.15 0.58 . . . . 0.0 110.789 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.84 -45.76 91.39 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.947 0.794 . . . . 0.0 110.578 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.29 -37.97 86.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.842 0.747 . . . . 0.0 109.783 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.16 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.896 . . . . 0.0 112.039 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -59.35 -35.01 73.07 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.11 0.964 . . . . 0.0 110.058 171.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.96 146.08 4.35 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.683 1.135 . . . . 0.0 111.718 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.71 77.28 1.55 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -133.09 49.32 2.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.826 1.251 . . . . 0.0 109.605 -169.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.125 169.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttm . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.36 4.06 25.45 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -67.35 -14.49 62.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.544 1.138 . . . . 0.0 113.661 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.1 m -83.12 -175.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 124.472 1.109 . . . . 0.0 108.113 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.89 126.86 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 123.52 13.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.42 150.98 23.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.22 -30.86 62.91 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 112.072 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -46.1 84.82 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.302 0.955 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -62.48 -48.66 78.63 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.21 -53.78 47.86 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.96 0.904 . . . . 0.0 111.511 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -65.03 -47.88 75.85 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.565 0.621 . . . . 0.0 110.331 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mmm-85 -63.05 -42.93 99.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.471 0.578 . . . . 0.0 110.75 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.42 -41.72 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 118.932 0.787 . . . . 0.0 109.72 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.18 -38.05 89.64 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.317 0.647 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.0 p -95.48 -8.16 36.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.138 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.87 -17.57 1.42 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -116.69 -34.79 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 120.115 1.325 . . . . 0.0 111.806 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.34 18.49 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.445 1.02 . . . . 0.0 111.691 171.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.64 -36.59 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.721 0.808 . . . . 0.0 111.75 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.89 2.76 48.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 -175.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.87 151.36 41.8 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.405 1.082 . . . . 0.0 111.501 -169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -143.47 -29.49 0.52 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.1 0.96 . . . . 0.0 111.944 169.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.09 149.09 26.45 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.258 0.936 . . . . 0.0 109.935 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -52.04 -38.64 57.71 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.64 -40.98 80.02 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.201 0.91 . . . . 0.0 109.273 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.984 0.514 . . . . 0.0 109.831 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -64.8 -41.42 95.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.081 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.64 98.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.329 0.513 . . . . 0.0 109.731 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mmt -63.93 -41.47 97.63 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.926 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.9 -51.83 55.87 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.387 0.994 . . . . 0.0 111.217 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -54.26 -51.59 64.08 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.152 0.581 . . . . 0.0 110.677 172.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.75 -46.85 81.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.585 0.63 . . . . 0.0 111.588 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -61.46 -51.99 66.39 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.75 0.704 . . . . 0.0 110.028 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.27 -37.86 74.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.224 -0.99 . . . . 0.0 110.136 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.81 -52.02 62.11 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.748 0.704 . . . . 0.0 110.019 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.08 -38.06 81.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.309 0.644 . . . . 0.0 111.079 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.91 -25.49 64.61 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -93.51 -37.25 12.02 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.864 0.865 . . . . 0.0 111.491 -174.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.36 116.27 3.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -81.82 51.8 1.8 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.647 0.737 . . . . 0.0 109.048 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -62.43 156.7 60.57 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 124.516 1.126 . . . . 0.0 111.587 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.91 154.62 90.99 Favored 'Cis proline' 0 CA--C 1.537 0.649 0 CA-C-N 119.322 0.793 . . . . 0.0 111.31 -9.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -144.24 -170.46 3.36 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.013 1.325 . . . . 0.0 108.427 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptm -131.37 167.15 19.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 119.387 0.994 . . . . 0.0 112.041 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.55 -175.34 36.7 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-O 122.198 0.888 . . . . 0.0 111.446 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -116.35 119.65 36.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 169.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.18 110.09 11.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -81.64 52.87 1.99 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.407 1.483 . . . . 0.0 107.633 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -55.71 125.66 22.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.217 0.607 . . . . 0.0 109.755 -169.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -78.36 60.82 2.66 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.599 0.759 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p 29.99 -96.0 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.066 2.946 . . . . 0.0 113.922 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 46.92 2.43 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.242 1.817 . . . . 0.0 108.678 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 71.22 -10.97 0.73 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 127.988 2.515 . . . . 0.0 113.14 -175.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -57.88 170.79 0.57 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.812 1.645 . . . . 0.0 111.784 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -63.73 -23.15 67.25 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.143 0.977 . . . . 0.0 112.569 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 149.91 44.11 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.239 1.015 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mt -128.46 139.77 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -111.78 101.22 9.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.64 105.53 12.86 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -107.03 124.8 50.16 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -70.23 132.1 45.22 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.0 152.55 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 121.122 0.487 . . . . 0.0 111.346 -172.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -100.54 132.67 45.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -105.43 112.15 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.55 -30.43 46.88 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 111.866 -169.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.58 -178.97 31.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.991 -2.044 . . . . 0.0 107.991 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.9 mmm -64.68 153.2 40.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.413 0.625 . . . . 0.0 110.645 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.11 173.48 2.62 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.448 1.499 . . . . 0.0 111.139 171.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.25 152.7 3.45 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.475 2.784 . . . . 0.0 113.734 170.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.49 -34.87 64.96 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.687 1.195 . . . . 0.0 111.39 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.48 -33.2 75.37 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.517 0.727 . . . . 0.0 111.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.99 -45.11 28.5 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.94 -2.94 13.91 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.96 -11.1 59.82 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.392 1.477 . . . . 0.0 112.366 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -24.14 1.68 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -157.68 155.65 30.35 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.407 1.003 . . . . 0.0 108.664 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.62 112.87 18.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -123.84 152.29 42.47 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 109.02 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.73 144.75 32.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.46 1.104 . . . . 0.0 109.291 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.59 140.23 42.53 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.8 141.29 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.15 137.53 53.54 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.329 1.052 . . . . 0.0 108.753 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.72 64.95 8.78 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 111.17 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.84 -21.47 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.391 0.677 . . . . 0.0 112.745 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.68 -3.69 88.02 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.238 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -92.64 0.1 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 119.202 1.501 . . . . 0.0 111.063 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -59.39 -39.17 82.49 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.956 0.878 . . . . 0.0 112.122 -173.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t70 58.9 -26.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 130.32 3.448 . . . . 0.0 116.397 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -115.17 9.34 15.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.728 1.611 . . . . 0.0 111.428 -171.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -135.33 162.86 31.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.844 0.858 . . . . 0.0 110.789 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.15 149.0 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 125.534 1.534 . . . . 0.0 108.656 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -140.99 -170.09 2.97 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.57 2.348 . . . . 0.0 108.239 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -123.04 146.5 47.61 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.39 152.46 51.92 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 124.599 1.16 . . . . 0.0 109.424 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 129.75 38.23 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 169.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.66 -30.22 68.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.164 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -50.17 -20.42 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.334 2.654 . . . . 0.0 114.543 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -119.16 13.33 12.87 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.598 0.759 . . . . 0.0 111.989 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.04 154.64 20.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 125.312 1.445 . . . . 0.0 109.394 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.92 118.39 25.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.71 37.58 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.7 mt -131.04 144.79 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.624 1.17 . . . . 0.0 108.63 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 51.66 39.83 26.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.454 1.502 . . . . 0.0 112.849 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 p -117.98 165.21 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.826 0.85 . . . . 0.0 110.658 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 152.84 44.78 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.918 0.887 . . . . 0.0 110.79 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.82 -40.39 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.966 1.307 . . . . 0.0 112.36 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.1 -34.63 66.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.666 1.121 . . . . 0.0 111.029 -176.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -67.97 -49.61 60.69 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.17 -43.18 96.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.167 0.587 . . . . 0.0 110.086 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.88 -42.47 89.59 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.71 91.98 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.179 0.445 . . . . 0.0 110.07 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.95 -45.4 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.47 -47.69 83.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.668 0.787 . . . . 0.0 109.865 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.86 -22.85 59.6 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -64.3 -47.77 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.153 1.342 . . . . 0.0 109.282 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.21 -44.19 97.14 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -59.26 -53.86 53.41 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.234 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -48.82 -42.1 35.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.084 1.354 . . . . 0.0 112.353 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.8 -50.99 71.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.95 -37.16 72.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.427 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -60.74 -30.02 69.74 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 128.009 2.523 . . . . 0.0 111.203 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 142.35 78.49 0.05 OUTLIER Glycine 0 C--N 1.338 0.651 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.16 106.51 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.283 1.033 . . . . 0.0 110.406 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.79 -54.22 4.83 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 118.867 -0.587 . . . . 0.0 112.041 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 10.6 p90 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.599 -172.895 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.03 71.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.035 -1.04 . . . . 0.0 111.927 176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -55.56 -13.17 1.43 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.699 2.0 . . . . 0.0 115.708 -173.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.31 -38.38 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 119.521 1.055 . . . . 0.0 110.819 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -155.37 59.89 0.63 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.836 1.254 . . . . 0.0 108.958 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -67.24 -23.01 65.66 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.146 -0.971 . . . . 0.0 111.973 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.9 130.37 46.44 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.11 -12.53 61.55 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -55.73 -48.22 75.58 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 120.049 1.295 . . . . 0.0 110.89 -175.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -64.72 -34.87 79.34 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.64 1.564 . . . . 0.0 112.058 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.05 -45.94 75.88 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.664 0.666 . . . . 0.0 110.095 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -60.87 -47.27 87.13 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.472 0.709 . . . . 0.0 110.274 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -70.48 -45.61 65.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.805 -1.093 . . . . 0.0 110.337 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 tt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 119.918 1.235 . . . . 0.0 109.754 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.275 1.03 . . . . 0.0 112.275 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.9 p -107.8 -2.02 20.35 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -173.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.57 -21.49 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.307 0.958 . . . . 0.0 113.442 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -126.9 -63.92 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.949 1.25 . . . . 0.0 110.11 -175.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.8 pt -91.85 22.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 119.306 0.957 . . . . 0.0 111.576 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.9 -38.29 51.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.712 1.605 . . . . 0.0 112.039 -170.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.78 2.4 46.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.243 1.017 . . . . 0.0 111.787 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.11 140.48 39.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.221 1.008 . . . . 0.0 109.85 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.76 -0.46 3.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.881 0.873 . . . . 0.0 112.189 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -138.93 151.81 47.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.896 1.278 . . . . 0.0 108.671 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -33.41 61.52 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.53 -42.14 75.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.489 1.04 . . . . 0.0 108.968 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.79 -36.41 80.4 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.735 -0.603 . . . . 0.0 110.065 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -64.58 -39.86 94.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.392 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.67 96.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.048 0.84 . . . . 0.0 109.887 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 mmt -64.98 -40.19 94.6 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.818 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.16 -50.56 66.36 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -53.85 -54.02 44.31 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 110.666 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.45 -47.22 82.4 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.157 0.583 . . . . 0.0 110.533 -176.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -58.41 -55.59 33.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.804 0.842 . . . . 0.0 110.366 -172.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -36.34 69.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.854 -0.739 . . . . 0.0 110.151 -176.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.44 -51.24 64.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.788 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.62 -38.06 83.5 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.914 0.779 . . . . 0.0 111.039 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.31 -24.25 66.51 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -95.32 -35.46 11.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.173 0.989 . . . . 0.0 111.822 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.93 121.17 10.51 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -81.33 48.76 1.19 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.996 1.318 . . . . 0.0 109.403 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -64.35 154.72 82.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 111.583 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.58 152.57 92.0 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.235 0.763 . . . . 0.0 111.009 -9.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.3 -171.62 3.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.11 1.364 . . . . 0.0 108.619 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptm -130.17 167.92 17.62 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.563 1.074 . . . . 0.0 111.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.97 -176.54 38.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-O 121.932 0.74 . . . . 0.0 111.711 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -118.45 119.71 35.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.01 109.28 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -80.04 52.51 1.54 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.11 1.364 . . . . 0.0 109.469 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -56.66 124.78 19.55 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.057 0.943 . . . . 0.0 109.903 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -91.56 -18.6 23.84 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.277 0.631 . . . . 0.0 111.19 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -63.62 114.83 4.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.592 1.157 . . . . 0.0 109.552 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -160.7 -175.2 4.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.964 1.705 . . . . 0.0 106.803 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -63.43 -12.76 33.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 111.584 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 p -137.37 173.52 11.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.961 2.505 . . . . 0.0 107.223 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 -1.79 16.38 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.033 -1.042 . . . . 0.0 113.305 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m -57.26 133.07 54.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mm -63.89 140.41 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -126.6 150.05 49.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 169.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.28 101.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -169.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -103.28 123.04 46.03 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -69.1 132.77 47.11 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.49 153.38 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 122.756 0.423 . . . . 0.0 110.996 -172.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.83 119.02 38.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -89.56 115.09 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.12 -28.01 29.75 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.2 178.22 32.03 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.778 -2.129 . . . . 0.0 107.778 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.2 mtp -65.59 151.88 45.42 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.998 -0.707 . . . . 0.0 110.704 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.29 171.54 4.77 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.023 1.329 . . . . 0.0 111.087 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.74 152.1 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.354 2.703 . . . . 0.0 113.624 170.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.93 -35.28 64.04 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.095 1.358 . . . . 0.0 111.441 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.96 -29.18 64.0 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.968 0.907 . . . . 0.0 112.225 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.96 -50.23 36.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 171.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.1 m -71.87 7.15 1.67 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.428 1.491 . . . . 0.0 114.478 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -13.24 61.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.044 1.737 . . . . 0.0 111.945 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -146.11 -23.95 0.45 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -169.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.41 152.31 25.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -84.55 120.69 26.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -127.09 154.56 44.56 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.328 1.051 . . . . 0.0 108.999 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -136.76 144.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.828 0.851 . . . . 0.0 109.425 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.87 142.51 44.09 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.92 141.35 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -169.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.16 136.11 53.46 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -86.34 65.73 9.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.006 0.923 . . . . 0.0 111.095 -171.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.3 pt -57.06 -21.58 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.05 -4.54 88.35 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.886 1.231 . . . . 0.0 113.098 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.76 -93.1 0.11 Allowed Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.149 1.474 . . . . 0.0 111.079 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -60.73 -37.32 81.35 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.81 0.805 . . . . 0.0 112.215 -172.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 59.52 -26.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.392 3.477 . . . . 0.0 116.603 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.29 9.31 15.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.703 1.601 . . . . 0.0 111.306 -172.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -135.82 163.59 29.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.85 147.19 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 126.01 1.724 . . . . 0.0 109.03 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -139.55 -168.35 2.46 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.358 2.263 . . . . 0.0 108.415 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.7 m -122.72 146.06 47.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 153.71 47.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 124.673 1.189 . . . . 0.0 109.712 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -73.39 128.17 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.74 -33.96 72.33 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.274 0.943 . . . . 0.0 109.961 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -54.04 -17.21 2.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 114.441 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.97 11.96 15.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.924 0.89 . . . . 0.0 111.708 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -120.33 153.92 23.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.567 1.547 . . . . 0.0 109.449 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.36 118.78 32.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 139.39 40.62 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.58 143.13 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.755 1.222 . . . . 0.0 108.366 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.58 36.02 19.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.641 1.576 . . . . 0.0 113.186 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 p -108.76 168.84 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.899 0.88 . . . . 0.0 110.59 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.15 151.71 46.36 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 110.417 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.47 -41.87 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.245 1.018 . . . . 0.0 111.906 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.65 -28.78 61.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.078 0.854 . . . . 0.0 111.086 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.2 m -69.8 -50.6 41.42 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 172.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -45.6 88.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.14 -37.85 88.96 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.543 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.73 95.13 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.445 1.02 . . . . 0.0 110.377 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -68.01 -43.88 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.8 94.38 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.069 0.547 . . . . 0.0 110.359 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.02 -35.76 80.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.471 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -61.13 -46.48 90.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.967 0.803 . . . . 0.0 110.565 170.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.68 -45.61 92.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.061 -0.399 . . . . 0.0 109.971 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.05 -38.93 92.43 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.817 0.447 . . . . 0.0 111.0 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.92 -45.66 91.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 119.352 0.978 . . . . 0.0 110.596 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.43 -42.78 95.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.35 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.534 0.734 . . . . 0.0 111.72 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -63.85 -26.67 68.72 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.175 0.99 . . . . 0.0 111.936 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.26 128.69 2.05 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.908 0.766 . . . . 0.0 111.392 170.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -74.65 79.25 2.01 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.291 1.036 . . . . 0.0 108.489 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.43 -26.01 4.68 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.719 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.865 1.666 . . . . 0.0 111.45 -170.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.61 74.25 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.009 -0.432 . . . . 0.0 111.574 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -70.41 63.22 0.25 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.289 1.836 . . . . 0.0 111.538 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.38 -22.58 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 111.266 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.87 151.4 39.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.843 1.657 . . . . 0.0 107.446 169.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -133.03 -1.79 3.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 0.0 111.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.73 87.71 5.23 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.24 -15.45 10.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.178 0.991 . . . . 0.0 112.593 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 m -55.68 -34.6 65.18 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.291 0.95 . . . . 0.0 110.991 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -63.47 -46.83 84.39 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.493 1.042 . . . . 0.0 110.955 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.11 -43.85 94.08 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.526 0.73 . . . . 0.0 109.408 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -58.18 9.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.45 0.7 . . . . 0.0 110.024 172.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -67.92 -36.08 79.56 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.238 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 tt -63.99 -40.31 88.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 119.861 1.21 . . . . 0.0 109.186 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.05 -46.25 85.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.006 0.523 . . . . 0.0 111.312 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.7 p -91.65 -3.74 55.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -136.8 -21.95 1.25 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.977 1.262 . . . . 0.0 114.2 -175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -115.68 -33.05 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 120.18 1.354 . . . . 0.0 111.775 -169.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.46 24.35 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.237 0.926 . . . . 0.0 111.119 -175.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -47.78 -36.48 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.705 2.002 . . . . 0.0 115.746 -169.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.92 2.04 12.72 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.975 0.91 . . . . 0.0 111.525 -171.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 143.52 36.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.352 0.661 . . . . 0.0 110.297 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.94 -19.41 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.432 1.493 . . . . 0.0 110.565 171.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -115.28 153.26 31.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.412 1.085 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -46.25 -38.85 9.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.41 1.484 . . . . 0.0 112.813 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.06 -39.58 72.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.876 0.762 . . . . 0.0 109.38 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.09 -41.13 74.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -61.45 -40.51 94.74 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.055 173.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.16 96.91 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.898 -0.573 . . . . 0.0 110.535 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.18 -43.17 92.53 Favored 'General case' 0 C--N 1.337 0.06 0 CA-C-N 118.822 0.737 . . . . 0.0 111.417 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.49 -54.12 36.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.211 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -52.42 -56.4 15.28 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.476 0.71 . . . . 0.0 110.43 172.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -53.99 -48.5 70.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.56 0.744 . . . . 0.0 111.523 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.06 -51.08 68.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.097 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -38.01 77.92 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.389 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.66 -53.75 30.62 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -172.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.76 -38.47 88.13 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.98 0.809 . . . . 0.0 111.532 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.28 -27.6 69.45 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -85.38 -32.18 22.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.856 0.863 . . . . 0.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.2 122.86 14.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.053 0.842 . . . . 0.0 109.1 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -81.31 47.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.937 1.295 . . . . 0.0 109.327 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -67.07 156.98 86.45 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.587 1.155 . . . . 0.0 112.061 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -64.98 155.34 76.52 Favored 'Cis proline' 0 C--N 1.351 0.678 0 CA-C-N 119.42 0.829 . . . . 0.0 111.558 -10.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.7 -169.36 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.964 1.305 . . . . 0.0 108.459 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptm -130.97 169.47 15.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 122.067 0.937 . . . . 0.0 111.692 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.44 -177.42 38.95 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.98 124.78 51.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 169.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.55 104.8 7.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 169.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -85.02 52.45 2.44 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.761 1.624 . . . . 0.0 108.495 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -55.92 114.5 1.94 Allowed 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.949 0.9 . . . . 0.0 109.401 -169.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -67.24 117.36 9.15 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 172.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 m -64.49 -44.69 90.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -168.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.75 -174.96 5.1 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.328 1.451 . . . . 0.0 107.994 -170.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.28 -35.26 69.56 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.5 0.72 . . . . 0.0 111.106 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -60.71 165.74 3.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.772 1.229 . . . . 0.0 111.351 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -68.17 -7.15 27.65 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m -61.39 145.02 53.01 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.311 1.044 . . . . 0.0 111.409 -173.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.66 144.51 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 C-N-CA 125.3 1.44 . . . . 0.0 107.294 175.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.77 149.51 31.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 169.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.13 115.44 16.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -128.49 126.2 39.98 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.4 m -72.99 135.01 44.9 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.23 157.42 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.479 0.712 . . . . 0.0 111.104 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.98 118.13 35.63 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.29 119.72 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -86.64 -21.32 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -169.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 179.09 23.42 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 107.31 -2.316 . . . . 0.0 107.31 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -61.93 151.18 35.53 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 169.82 4.13 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.769 0.828 . . . . 0.0 109.855 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -50.51 152.58 8.74 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.396 2.064 . . . . 0.0 112.126 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.58 -28.82 65.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.639 0.376 . . . . 0.0 111.146 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.48 -34.17 73.65 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.712 0.805 . . . . 0.0 111.891 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.31 -43.14 17.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.941 -0.474 . . . . 0.0 110.027 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.3 m -77.31 14.63 0.9 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.64 -10.01 59.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.752 1.221 . . . . 0.0 112.446 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -134.0 -24.73 1.65 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.526 0.73 . . . . 0.0 112.941 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -160.59 161.65 32.61 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -80.54 117.98 21.73 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -125.83 152.87 44.9 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.325 1.05 . . . . 0.0 109.486 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.24 141.55 45.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.919 0.888 . . . . 0.0 109.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.73 141.65 39.18 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.42 130.53 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.86 133.73 41.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -89.81 70.38 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.912 0.485 . . . . 0.0 110.968 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.85 -13.86 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 -31.64 11.13 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.229 0.918 . . . . 0.0 112.113 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.86 -20.81 3.35 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.399 -1.223 . . . . 0.0 115.243 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -139.49 -41.94 0.45 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.612 1.706 . . . . 0.0 112.128 -175.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.49 -27.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.338 3.055 . . . . 0.0 115.399 -170.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -107.42 5.91 27.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 111.979 -172.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -138.25 162.81 33.35 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.679 0.791 . . . . 0.0 111.264 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.0 p -135.36 149.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.319 1.847 . . . . 0.0 110.115 -169.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -141.93 -172.23 3.52 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.262 2.225 . . . . 0.0 108.203 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -122.63 148.11 45.64 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 170.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 156.09 49.29 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.441 1.096 . . . . 0.0 110.047 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 132.2 44.14 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 173.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.49 -34.16 73.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.994 0.815 . . . . 0.0 110.035 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -56.96 -15.48 5.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.0 2.12 . . . . 0.0 114.335 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -118.72 13.78 13.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.296 1.038 . . . . 0.0 111.379 -169.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -124.69 155.02 32.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 125.705 1.602 . . . . 0.0 109.173 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -124.26 119.12 28.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.79 138.64 38.3 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.4 mt -131.37 147.14 32.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 108.426 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.79 40.31 24.24 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.538 1.535 . . . . 0.0 112.77 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.05 168.15 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 110.483 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.21 151.71 46.4 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.592 0.757 . . . . 0.0 110.358 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.85 -41.85 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.245 1.018 . . . . 0.0 111.802 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -73.62 -29.07 62.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.103 0.865 . . . . 0.0 111.169 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 97.6 m -69.48 -50.8 41.96 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -45.92 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.16 -37.01 85.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.682 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.7 97.82 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.891 1.223 . . . . 0.0 110.543 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.9 -44.33 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.5 85.54 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.181 0.593 . . . . 0.0 110.467 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.71 -37.74 85.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.892 0.477 . . . . 0.0 111.786 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -61.14 -46.49 90.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.578 0.627 . . . . 0.0 110.387 171.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.37 -43.09 99.64 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.567 0.347 . . . . 0.0 110.08 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.32 -47.28 84.96 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.457 0.703 . . . . 0.0 110.219 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.09 -45.89 75.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.948 0.795 . . . . 0.0 110.795 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.36 -44.31 95.18 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.34 83.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.938 0.895 . . . . 0.0 112.272 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.53 -29.5 70.61 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.06 1.344 . . . . 0.0 111.313 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 147.85 130.55 2.01 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 173.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -76.09 72.95 2.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.025 0.93 . . . . 0.0 109.421 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -91.62 18.32 7.62 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.316 1.047 . . . . 0.0 110.47 172.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.5 t80 . . . . . 0 C--O 1.245 0.855 0 C-N-CA 126.608 1.963 . . . . 0.0 109.337 -176.813 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.43 2.62 2.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.027 0.931 . . . . 0.0 112.469 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -78.86 17.4 0.73 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.421 1.088 . . . . 0.0 112.965 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.67 29.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.325 1.85 . . . . 0.0 112.927 -169.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.57 71.17 2.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.807 1.243 . . . . 0.0 108.637 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -50.09 -50.02 49.56 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.641 1.576 . . . . 0.0 111.858 -171.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.68 140.7 15.12 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.47 -19.91 65.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.93 -0.557 . . . . 0.0 112.285 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.1 m -57.14 -35.81 69.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.101 1.319 . . . . 0.0 110.756 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -61.79 -47.68 84.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.915 0.78 . . . . 0.0 109.0 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -65.45 -47.84 74.74 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.987 1.315 . . . . 0.0 110.508 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -62.63 -48.74 78.07 Favored 'General case' 0 C--O 1.232 0.164 0 O-C-N 122.112 -0.368 . . . . 0.0 110.457 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -64.84 -47.58 77.44 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.565 -174.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.4 tt -60.07 -42.32 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 119.495 1.043 . . . . 0.0 109.824 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.75 -33.43 75.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.131 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 p -105.16 -10.58 17.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -136.87 -7.35 1.86 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.071 1.305 . . . . 0.0 114.434 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -121.22 -62.94 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 120.208 1.367 . . . . 0.0 109.482 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 pt -94.85 10.25 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 119.152 0.887 . . . . 0.0 111.473 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.29 -38.26 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.528 1.131 . . . . 0.0 111.916 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -79.6 -18.06 52.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.239 1.016 . . . . 0.0 112.519 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.2 160.17 27.04 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.474 0.71 . . . . 0.0 111.387 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -141.53 -8.93 0.96 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.402 1.081 . . . . 0.0 112.492 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -143.67 156.46 44.55 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.125 1.37 . . . . 0.0 108.668 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -52.32 -37.87 57.0 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.91 -37.28 75.9 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.72 1.145 . . . . 0.0 109.857 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -70.07 -39.97 75.32 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.771 -0.58 . . . . 0.0 109.448 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -59.97 -42.73 94.77 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.863 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.64 92.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.307 0.503 . . . . 0.0 110.768 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -69.99 -37.86 75.83 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.934 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 -48.63 85.1 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -57.35 -52.56 64.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.592 0.757 . . . . 0.0 111.119 172.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.9 -46.89 78.24 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.886 0.474 . . . . 0.0 110.363 -176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -58.24 -56.71 18.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.037 0.935 . . . . 0.0 110.521 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.17 -37.16 75.1 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.135 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.57 -50.09 66.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.687 0.676 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.85 -39.2 84.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.646 0.657 . . . . 0.0 110.873 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.16 -22.72 65.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -97.52 -34.81 10.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.926 0.89 . . . . 0.0 111.623 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.5 117.38 4.81 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.48 51.68 1.71 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.761 0.824 . . . . 0.0 109.065 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -61.86 157.51 49.51 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 111.691 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.91 155.06 91.06 Favored 'Cis proline' 0 C--N 1.35 0.609 0 CA-C-N 119.279 0.778 . . . . 0.0 111.222 -9.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.15 -169.46 3.12 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.083 1.353 . . . . 0.0 108.206 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.79 165.82 24.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.643 1.11 . . . . 0.0 112.079 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.09 -179.96 37.93 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.292 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -115.56 123.58 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.18 106.1 8.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 169.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -82.61 50.42 1.66 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.259 1.824 . . . . 0.0 108.695 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -55.25 143.11 29.07 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.637 1.175 . . . . 0.0 109.894 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -131.32 29.9 4.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 110.08 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -142.56 16.12 2.0 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -168.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -79.98 57.49 2.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.736 -1.228 . . . . 0.0 110.826 -173.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 53.71 29.58 9.72 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.128 1.371 . . . . 0.0 111.352 -169.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -155.88 156.41 34.59 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.993 1.717 . . . . 0.0 106.632 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -82.31 -6.22 59.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.905 0.882 . . . . 0.0 111.059 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -66.67 143.04 57.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.649 0.78 . . . . 0.0 109.18 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.2 mm -66.8 143.48 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -128.94 152.17 48.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.371 2.668 . . . . 0.0 105.334 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.41 102.92 6.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -169.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -109.63 109.49 20.26 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.689 1.196 . . . . 0.0 108.794 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -64.45 133.09 51.78 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.73 145.35 25.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.354 0.662 . . . . 0.0 110.924 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.67 125.05 42.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -98.31 114.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -173.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.66 -26.98 34.28 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.515 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.7 -175.82 33.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mmm -64.23 153.36 38.26 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.245 0.545 . . . . 0.0 110.488 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.56 171.62 4.92 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.279 1.031 . . . . 0.0 109.986 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.12 150.14 10.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.764 2.309 . . . . 0.0 112.395 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.27 -27.26 65.65 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.124 0.57 . . . . 0.0 111.636 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.11 -33.82 76.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.47 0.708 . . . . 0.0 111.904 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -76.53 -43.77 37.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -75.49 8.18 3.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -170.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.7 -4.96 57.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.482 1.113 . . . . 0.0 113.03 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -142.94 -20.76 0.65 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -160.25 150.04 17.94 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -80.26 121.98 26.31 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.277 1.399 . . . . 0.0 110.193 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -123.74 151.91 42.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.396 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.22 146.89 28.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.228 1.011 . . . . 0.0 109.043 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.63 137.58 35.44 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.75 131.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.484 0.713 . . . . 0.0 110.074 -172.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.3 134.74 40.19 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -83.1 64.66 7.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.468 1.107 . . . . 0.0 110.611 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.0 pt -58.89 -18.0 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.491 -0.756 . . . . 0.0 112.383 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.47 1.81 88.49 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.247 1.403 . . . . 0.0 113.243 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.23 -92.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 CA-C-N 119.358 1.579 . . . . 0.0 111.475 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -59.7 -37.19 78.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.834 0.817 . . . . 0.0 112.339 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.02 -24.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 129.797 3.239 . . . . 0.0 115.748 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.22 11.46 12.32 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.248 1.819 . . . . 0.0 111.154 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -135.12 162.66 31.88 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.203 1.001 . . . . 0.0 110.342 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.46 150.19 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.711 1.604 . . . . 0.0 110.494 -168.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -141.12 -172.78 3.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.7 2.4 . . . . 0.0 108.12 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 m -120.41 148.43 43.79 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.34 48.4 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.367 1.067 . . . . 0.0 109.486 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 129.03 37.42 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 171.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.63 -30.62 69.98 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.003 0.365 . . . . 0.0 110.525 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -50.89 -24.89 3.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.084 2.154 . . . . 0.0 113.614 171.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -110.96 12.7 22.14 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.194 0.998 . . . . 0.0 111.525 -169.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.93 154.35 26.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 125.277 1.431 . . . . 0.0 109.534 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -125.41 118.47 25.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.36 139.63 42.52 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.28 139.52 51.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.546 1.138 . . . . 0.0 108.576 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 51.83 36.14 17.28 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.676 1.59 . . . . 0.0 113.084 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.21 165.58 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.633 0.773 . . . . 0.0 110.523 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 157.91 33.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 123.49 0.716 . . . . 0.0 110.904 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.67 -41.64 81.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.466 -176.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.68 -40.54 72.89 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.143 0.883 . . . . 0.0 110.44 -175.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.2 m -60.09 -51.23 70.5 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.823 0.849 . . . . 0.0 109.89 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.26 -47.14 86.46 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.44 -34.89 77.68 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.488 0.715 . . . . 0.0 111.843 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.16 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.686 0.676 . . . . 0.0 110.909 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.62 -43.18 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.24 76.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.981 0.513 . . . . 0.0 110.168 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.19 -42.86 99.68 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.037 0.38 . . . . 0.0 111.739 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -60.18 -46.1 90.86 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.591 0.356 . . . . 0.0 110.184 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.17 -43.58 97.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.037 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -60.41 -53.22 60.21 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.328 0.513 . . . . 0.0 109.71 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -55.94 -44.82 78.77 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.582 0.753 . . . . 0.0 111.03 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.14 -42.98 99.58 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 -173.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.53 -36.0 68.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.42 0.688 . . . . 0.0 111.967 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -68.34 -24.17 64.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.885 0.874 . . . . 0.0 111.912 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.59 -113.69 0.76 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -142.4 -174.06 4.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -53.23 -57.69 9.63 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.982 1.313 . . . . 0.0 110.974 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.524 1.53 . . . . 0.0 107.999 170.149 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.5 71.65 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.929 . . . . 0.0 112.492 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -62.55 -9.46 8.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.623 1.569 . . . . 0.0 114.789 -171.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 m -70.54 -1.6 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 119.043 0.838 . . . . 0.0 112.897 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.27 138.99 19.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.503 1.047 . . . . 0.0 109.899 169.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -113.99 -50.4 2.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -158.22 140.33 14.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.05 -16.72 63.76 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.8 p -56.43 -28.06 58.43 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.752 1.16 . . . . 0.0 111.763 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -58.93 -48.98 79.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.448 0.567 . . . . 0.0 110.027 175.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.99 -43.23 68.46 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.885 0.474 . . . . 0.0 109.932 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -63.2 -48.1 79.74 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.129 -0.357 . . . . 0.0 110.783 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -67.87 -41.86 82.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.092 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -64.57 -41.25 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.276 0.944 . . . . 0.0 109.401 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.96 -38.7 89.5 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.616 -0.677 . . . . 0.0 111.45 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -97.41 0.42 47.73 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -170.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -139.44 -16.61 1.03 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.44 -31.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.383 1.447 . . . . 0.0 112.946 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.84 35.44 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.666 1.121 . . . . 0.0 111.16 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.7 m -53.01 -35.9 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.498 1.519 . . . . 0.0 114.593 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -133.32 3.99 3.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.268 1.027 . . . . 0.0 111.444 -169.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.23 102.94 3.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.6 -12.68 57.52 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -143.47 151.28 40.13 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.119 0.968 . . . . 0.0 109.898 -169.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -30.46 26.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.63 -42.77 61.01 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.565 1.075 . . . . 0.0 108.624 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.73 -36.62 84.89 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.771 -0.581 . . . . 0.0 109.696 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -69.53 -33.61 73.05 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.49 -0.756 . . . . 0.0 110.747 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.23 95.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.515 0.598 . . . . 0.0 110.016 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.1 mmt -65.12 -39.62 93.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.821 0.737 . . . . 0.0 111.622 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.55 77.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.83 -53.76 51.14 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.016 0.526 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -57.26 -46.06 83.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.439 0.696 . . . . 0.0 110.327 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -58.57 -55.07 39.74 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 110.284 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -35.52 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.771 -0.771 . . . . 0.0 110.448 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.26 -49.81 68.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.549 0.613 . . . . 0.0 109.86 -177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.92 -39.94 87.19 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.284 0.633 . . . . 0.0 110.851 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.32 -25.02 66.63 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.1 m -95.41 -36.15 11.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.573 0.749 . . . . 0.0 111.621 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.69 119.3 8.42 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -84.12 51.83 2.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.743 0.817 . . . . 0.0 109.248 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -61.93 158.12 45.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 124.547 1.139 . . . . 0.0 111.987 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.76 155.73 90.23 Favored 'Cis proline' 0 C--N 1.35 0.657 0 CA-C-N 119.458 0.842 . . . . 0.0 111.727 -7.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -143.8 -168.85 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.377 1.471 . . . . 0.0 108.284 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.39 169.02 17.86 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.039 -1.038 . . . . 0.0 111.752 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.85 -177.79 39.41 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-O 122.174 0.874 . . . . 0.0 111.345 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.63 122.93 47.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.3 106.86 9.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 169.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.81 49.99 1.72 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.598 1.559 . . . . 0.0 108.404 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -52.77 119.6 4.77 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.811 1.244 . . . . 0.0 110.729 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -92.66 -10.79 36.01 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 111.421 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -72.82 26.54 0.06 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.46 2.304 . . . . 0.0 114.664 -171.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -69.87 178.76 2.51 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.82 -1.175 . . . . 0.0 110.576 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -60.53 -18.82 54.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.596 0.758 . . . . 0.0 112.169 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -127.41 172.92 10.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.223 1.809 . . . . 0.0 107.842 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -65.34 -4.59 5.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.392 1.077 . . . . 0.0 113.821 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -62.16 138.16 58.36 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.8 2.04 . . . . 0.0 111.285 -174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 mm -70.81 144.46 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -126.03 153.58 44.21 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.871 2.068 . . . . 0.0 105.711 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -128.32 112.59 14.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -118.07 121.28 40.19 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -70.11 131.73 44.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.74 146.81 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.964 0.506 . . . . 0.0 110.644 -174.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.75 118.0 32.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.31 107.82 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.01 -29.69 60.93 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.242 0.617 . . . . 0.0 111.577 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.6 178.31 32.5 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 107.605 -2.198 . . . . 0.0 107.605 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mtp -63.58 151.44 41.54 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 122.149 -0.618 . . . . 0.0 110.226 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.79 168.21 9.37 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.405 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.08 152.55 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.56 2.173 . . . . 0.0 112.338 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -58.56 -28.58 65.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.826 0.45 . . . . 0.0 111.204 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.53 -28.99 70.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.836 0.854 . . . . 0.0 112.294 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -81.81 -42.99 18.91 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.63 20.16 0.24 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.281 1.032 . . . . 0.0 113.648 -174.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -15.51 62.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.762 2.025 . . . . 0.0 112.371 -175.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -148.83 -19.35 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -174.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -154.04 152.37 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 -175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -87.8 124.31 33.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 118.999 0.818 . . . . 0.0 109.143 -173.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -127.1 154.57 44.55 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.328 1.051 . . . . 0.0 109.778 -175.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.29 144.66 32.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.979 0.911 . . . . 0.0 109.008 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.19 141.83 38.38 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.81 138.17 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -169.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.03 135.99 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.55 64.7 8.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 111.415 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.1 pt -58.19 -19.01 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 O-C-N 121.637 -0.664 . . . . 0.0 112.609 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.29 -2.62 87.61 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.917 1.246 . . . . 0.0 113.12 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.93 -96.47 0.13 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 119.255 1.528 . . . . 0.0 111.156 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 117.782 0.791 . . . . 0.0 112.503 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.64 -24.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 130.007 3.323 . . . . 0.0 115.953 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.68 11.22 12.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.179 1.792 . . . . 0.0 111.049 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -133.91 162.67 31.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 110.601 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.15 148.95 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.883 1.673 . . . . 0.0 110.381 -168.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.48 -175.25 4.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.285 2.234 . . . . 0.0 108.279 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.0 m -119.15 144.42 46.67 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 169.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.32 152.08 51.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.689 1.196 . . . . 0.0 109.284 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 131.06 42.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 172.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.94 -33.75 73.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.101 0.864 . . . . 0.0 109.882 172.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -56.1 -16.93 5.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.158 2.183 . . . . 0.0 113.84 174.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -117.1 15.12 15.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.722 1.209 . . . . 0.0 111.041 -171.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.37 153.87 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.403 1.481 . . . . 0.0 109.593 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -121.15 118.93 30.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.566 -2.012 . . . . 0.0 105.566 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.44 140.06 38.68 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -130.29 141.3 46.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.882 1.273 . . . . 0.0 107.909 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.44 24.7 8.78 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.692 1.597 . . . . 0.0 113.798 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.06 163.61 3.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.221 1.008 . . . . 0.0 111.908 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.54 157.07 38.65 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.367 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.17 -43.71 78.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.706 0.802 . . . . 0.0 112.077 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.43 -29.16 61.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.261 0.937 . . . . 0.0 110.824 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 69.8 m -68.21 -50.39 54.43 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.71 -48.37 79.76 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.346 0.659 . . . . 0.0 109.86 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.77 -35.27 80.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.459 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.78 91.44 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.588 1.085 . . . . 0.0 110.623 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.78 -45.01 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.94 91.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.146 0.578 . . . . 0.0 110.139 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.71 -38.92 90.53 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.847 0.459 . . . . 0.0 111.003 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -60.09 -48.98 79.47 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.393 0.542 . . . . 0.0 110.735 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.88 -45.38 94.81 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -62.56 -46.68 87.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.204 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -57.87 -45.14 86.76 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.643 1.11 . . . . 0.0 110.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.0 -42.34 97.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.81 -36.39 72.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.691 0.796 . . . . 0.0 112.383 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -61.26 -31.54 71.34 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.151 1.38 . . . . 0.0 110.399 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.13 126.46 1.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 169.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.23 79.65 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -129.73 7.17 5.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-O 117.02 -1.467 . . . . 0.0 110.071 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttm . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.67 70.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.398 0.679 . . . . 0.0 112.502 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -63.3 99.08 0.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.821 1.248 . . . . 0.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.91 -21.36 28.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.07 0.548 . . . . 0.0 111.709 172.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -139.92 137.28 34.68 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -132.57 -25.5 1.9 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.751 0.705 . . . . 0.0 112.417 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.19 143.74 57.65 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.354 0.525 . . . . 0.0 110.935 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.95 -27.31 51.94 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.658 1.183 . . . . 0.0 112.756 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 m -56.58 -42.05 77.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.852 0.751 . . . . 0.0 110.784 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -62.94 -39.78 95.65 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.79 1.177 . . . . 0.0 110.133 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.12 -44.96 78.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -60.58 -46.35 90.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.95 0.9 . . . . 0.0 110.926 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -70.06 -46.22 65.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.015 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.39 -42.46 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.28 0.945 . . . . 0.0 108.881 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.15 -55.33 35.18 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.9 p -72.6 -4.63 32.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -172.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -119.52 -27.93 5.43 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.427 1.012 . . . . 0.0 112.469 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -118.87 -34.08 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 119.514 1.052 . . . . 0.0 112.389 -169.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.26 31.47 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.933 1.242 . . . . 0.0 112.55 -171.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -52.24 -33.65 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.042 0.937 . . . . 0.0 112.896 173.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -89.74 2.78 54.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.315 1.446 . . . . 0.0 113.011 -171.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.97 146.22 45.11 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.122 0.969 . . . . 0.0 110.185 -170.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.32 4.16 2.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.725 0.81 . . . . 0.0 111.805 -172.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -138.69 149.53 45.22 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 108.533 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -52.6 -36.51 56.35 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.42 -42.77 74.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.637 1.108 . . . . 0.0 109.416 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.57 -37.56 79.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.199 0.599 . . . . 0.0 109.614 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -72.23 -29.69 64.19 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.307 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.5 96.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.408 1.004 . . . . 0.0 109.489 169.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.61 -40.16 92.31 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.722 -0.656 . . . . 0.0 111.5 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -50.88 61.61 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.264 0.938 . . . . 0.0 111.534 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -53.27 -53.4 51.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.457 0.703 . . . . 0.0 110.32 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -55.6 -47.44 76.49 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.466 0.706 . . . . 0.0 111.407 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.97 -50.69 65.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.905 0.775 . . . . 0.0 110.259 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -35.79 75.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.201 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.27 -52.2 63.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.436 0.562 . . . . 0.0 109.925 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.95 -40.99 86.36 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.283 0.633 . . . . 0.0 110.833 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.64 -25.2 67.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.2 m -93.32 -37.53 11.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.912 0.885 . . . . 0.0 111.714 -175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.74 122.29 13.18 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -82.09 48.77 1.29 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.093 1.357 . . . . 0.0 109.523 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -63.88 154.77 80.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.025 0.93 . . . . 0.0 111.529 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.15 152.85 91.17 Favored 'Cis proline' 0 CA--C 1.538 0.695 0 CA-C-N 119.27 0.775 . . . . 0.0 111.481 -8.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.05 -168.5 2.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.483 1.513 . . . . 0.0 108.418 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.5 ptm -135.23 166.76 22.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.516 1.053 . . . . 0.0 111.746 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.29 -178.34 38.94 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.172 0.873 . . . . 0.0 111.621 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.64 119.65 36.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 170.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.43 111.21 11.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 169.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -82.44 49.61 1.48 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.368 1.467 . . . . 0.0 108.45 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.64 120.66 9.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 109.632 -169.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.03 120.54 10.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -52.52 -47.39 66.69 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.351 0.66 . . . . 0.0 112.16 -169.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -146.55 -162.13 1.47 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.56 69.96 0.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.16 0.891 . . . . 0.0 109.134 169.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -157.21 171.03 21.15 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.045 1.738 . . . . 0.0 108.005 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 m -72.93 -21.62 60.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 m -61.94 150.14 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.336 1.054 . . . . 0.0 110.625 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mt -130.07 140.82 47.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.08 0.952 . . . . 0.0 109.499 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.16 104.55 14.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -82.12 95.98 7.65 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -98.47 117.86 33.85 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -69.32 133.11 47.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.67 145.84 26.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.409 0.684 . . . . 0.0 110.843 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.41 117.61 32.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -88.18 109.73 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.96 -29.84 50.01 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.248 0.619 . . . . 0.0 111.893 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.22 177.48 32.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.505 -2.238 . . . . 0.0 107.505 -174.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.76 150.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.064 -0.668 . . . . 0.0 110.55 172.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.81 168.49 8.66 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.105 0.962 . . . . 0.0 109.647 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.51 145.25 12.43 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.613 2.208 . . . . 0.0 112.098 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -28.17 63.63 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.281 0.632 . . . . 0.0 111.271 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.68 -35.36 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.198 0.999 . . . . 0.0 112.357 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -79.46 -37.29 37.26 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.326 0.512 . . . . 0.0 110.293 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.9 m -76.01 15.05 0.59 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -9.33 58.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.645 1.578 . . . . 0.0 112.563 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -137.35 -34.14 0.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.043 0.937 . . . . 0.0 112.771 -169.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -157.31 156.52 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -85.14 129.63 34.76 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.507 1.049 . . . . 0.0 109.225 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 154.23 46.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.227 1.011 . . . . 0.0 109.868 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.98 145.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 124.285 1.034 . . . . 0.0 109.125 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.16 140.86 37.65 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.08 136.62 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -172.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.09 133.71 42.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -83.04 67.75 9.24 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.772 0.829 . . . . 0.0 110.072 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 pt -60.18 -10.97 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.653 0.781 . . . . 0.0 113.035 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.02 -12.37 57.76 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 118.301 -1.277 . . . . 0.0 113.224 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.13 -22.95 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 CA-C-N 119.553 1.677 . . . . 0.0 116.02 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -137.89 -40.21 0.55 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.544 1.672 . . . . 0.0 111.446 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 59.69 -28.9 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.408 3.083 . . . . 0.0 115.227 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -105.53 5.48 31.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.656 1.582 . . . . 0.0 112.06 -172.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -134.73 161.32 35.48 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.66 0.784 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -131.59 147.58 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.107 1.763 . . . . 0.0 110.054 -168.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -139.46 -172.23 3.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.63 2.372 . . . . 0.0 108.151 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -120.03 147.5 44.72 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.1 51.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.988 1.315 . . . . 0.0 109.628 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -71.86 125.37 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.36 -36.74 78.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.107 0.867 . . . . 0.0 108.942 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 m -54.29 -11.01 0.44 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 129.23 3.012 . . . . 0.0 114.202 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -125.28 13.44 8.27 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.651 1.18 . . . . 0.0 111.676 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.7 154.98 15.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 125.522 1.529 . . . . 0.0 109.128 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.11 118.17 29.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 173.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.51 137.96 38.18 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.5 mt -129.12 136.75 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.66 1.184 . . . . 0.0 108.112 -176.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 58.53 23.59 10.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.757 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.48 165.45 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.399 1.079 . . . . 0.0 112.141 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.1 156.69 38.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.02 -44.25 82.66 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.6 0.76 . . . . 0.0 112.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.25 -28.76 62.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.105 0.866 . . . . 0.0 110.811 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.7 m -68.18 -50.41 54.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -46.69 84.77 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.099 0.559 . . . . 0.0 109.764 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.59 -37.19 86.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.157 0.583 . . . . 0.0 111.359 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.69 81.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.991 0.814 . . . . 0.0 110.222 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.38 -47.89 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.68 90.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.609 0.764 . . . . 0.0 110.612 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.68 -33.48 72.62 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.228 0.467 . . . . 0.0 111.641 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -63.63 -46.04 87.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.546 0.612 . . . . 0.0 110.506 170.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.03 -43.91 98.18 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.984 -0.448 . . . . 0.0 109.854 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.87 -48.38 80.77 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.47 0.708 . . . . 0.0 110.232 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -54.46 -44.55 72.66 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.092 0.957 . . . . 0.0 110.94 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.35 -45.32 88.31 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.48 -27.89 69.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 122.702 0.401 . . . . 0.0 111.688 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.677 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.0 -7.29 3.79 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 117.471 -1.738 . . . . 0.0 113.562 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.87 84.15 0.07 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.372 1.586 . . . . 0.0 110.41 -173.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -58.24 -49.28 77.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -172.429 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.2 2.1 3.01 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.905 0.882 . . . . 0.0 111.688 -169.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -136.46 150.2 48.59 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.916 1.286 . . . . 0.0 108.697 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.83 -35.35 57.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.322 -0.847 . . . . 0.0 113.228 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.66 -44.88 80.67 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.686 1.13 . . . . 0.0 109.602 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -65.59 -40.99 93.3 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -71.44 -28.92 64.3 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.716 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.0 98.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.862 0.755 . . . . 0.0 109.22 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.48 -35.68 77.88 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.015 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.78 63.96 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.97 -51.96 64.54 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.392 0.677 . . . . 0.0 110.721 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.838 0.855 . . . . 0.0 110.668 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -56.26 -55.36 34.25 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.457 1.103 . . . . 0.0 110.522 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -36.09 73.5 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.26 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.99 -54.05 44.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.676 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.34 -38.7 84.61 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 118.798 0.726 . . . . 0.0 111.104 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.55 -24.94 67.77 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -93.57 -33.07 13.88 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.054 0.941 . . . . 0.0 111.707 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.21 122.0 12.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.45 49.2 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.905 1.282 . . . . 0.0 109.277 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -64.34 155.71 79.08 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 111.588 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -69.87 154.68 93.66 Favored 'Cis proline' 0 CA--C 1.538 0.691 0 CA-C-N 119.287 0.781 . . . . 0.0 111.162 -9.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -143.76 -167.88 2.7 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.22 1.408 . . . . 0.0 108.579 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 ptm -134.32 166.97 21.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 119.443 1.02 . . . . 0.0 111.958 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.9 -178.27 38.09 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-O 122.093 0.83 . . . . 0.0 111.458 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.82 122.6 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.3 106.79 9.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.27 47.87 1.31 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.027 1.731 . . . . 0.0 108.67 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--O 1.227 -0.125 0 C-N-CA 124.841 1.256 . . . . 0.0 110.977 -168.84 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.58 106.78 9.2 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -111.91 120.11 40.8 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -69.64 131.97 45.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.96 146.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.163 0.585 . . . . 0.0 110.721 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.95 126.83 41.47 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.34 111.19 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.45 -30.2 61.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.577 0.751 . . . . 0.0 111.063 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.38 -178.3 30.48 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 mtp -63.69 151.15 42.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 110.364 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.75 4.57 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.856 0.862 . . . . 0.0 109.981 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.59 137.35 33.23 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.487 2.125 . . . . 0.0 111.508 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.39 -29.95 64.51 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.667 0.787 . . . . 0.0 111.661 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.412 1.085 . . . . 0.0 112.813 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -85.51 -26.63 26.12 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.704 -0.622 . . . . 0.0 110.641 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -88.55 22.27 2.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.784 1.233 . . . . 0.0 113.05 -170.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.59 -7.71 46.13 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.806 1.243 . . . . 0.0 111.89 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -138.04 -28.96 0.85 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.438 1.095 . . . . 0.0 112.799 -169.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -154.03 149.49 27.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.4 mmt -76.95 84.08 3.49 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -78.29 153.38 31.83 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.24 -0.912 . . . . 0.0 110.878 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.74 145.09 31.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 124.898 1.279 . . . . 0.0 108.796 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.76 140.8 32.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -141.79 143.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.409 0.684 . . . . 0.0 109.974 -171.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.09 136.26 50.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 172.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.65 65.08 6.64 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 pt -58.9 -18.16 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 121.487 -0.758 . . . . 0.0 112.478 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.25 -3.76 88.58 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.889 1.233 . . . . 0.0 113.084 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.6 -97.04 0.14 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 119.194 1.497 . . . . 0.0 111.167 -174.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -60.59 -34.97 75.0 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.588 0.694 . . . . 0.0 112.541 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 60.35 -27.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 130.452 3.501 . . . . 0.0 116.556 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.45 7.53 22.77 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.424 1.49 . . . . 0.0 111.674 -170.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -137.09 164.66 27.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.969 0.908 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.9 147.15 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.569 1.548 . . . . 0.0 108.859 -169.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.76 -173.22 3.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.685 2.394 . . . . 0.0 107.863 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -123.26 147.22 47.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.19 157.52 46.14 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.946 1.298 . . . . 0.0 109.625 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 129.72 37.16 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.756 1.162 . . . . 0.0 109.355 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -54.19 -13.37 0.83 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.209 2.604 . . . . 0.0 114.068 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -124.5 14.62 8.84 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.252 1.421 . . . . 0.0 110.927 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.74 155.64 30.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.618 1.567 . . . . 0.0 109.591 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -124.94 119.11 27.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.8 40.41 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.4 mt -129.7 140.92 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.473 1.109 . . . . 0.0 108.524 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.57 35.87 19.1 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.759 1.624 . . . . 0.0 113.369 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -107.43 169.17 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.77 0.828 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.05 152.26 45.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.911 0.885 . . . . 0.0 110.535 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.06 -42.18 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.147 0.979 . . . . 0.0 112.086 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -73.23 -28.49 62.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.197 0.908 . . . . 0.0 111.005 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.536 HG21 HG21 ' A' ' 105' ' ' VAL . 92.0 m -70.38 -50.81 34.96 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.14 89.17 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.48 -38.94 92.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.463 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.94 95.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 110.519 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.0 -47.08 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.606 0.763 . . . . 0.0 109.1 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.61 89.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.9 -35.98 79.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.965 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -60.69 -47.32 86.79 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.96 0.8 . . . . 0.0 110.156 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.92 -45.5 93.43 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.532 0.333 . . . . 0.0 110.108 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.17 -44.51 95.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.529 0.732 . . . . 0.0 110.574 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -58.63 -48.11 82.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.743 0.701 . . . . 0.0 109.989 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.7 -42.46 97.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.509 0 C-N-CA 124.017 0.927 . . . . 0.0 112.175 176.456 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.119 0.485 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -130.03 -19.63 3.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.931 1.692 . . . . 0.0 110.291 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.16 148.79 43.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.775 1.23 . . . . 0.0 110.157 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -27.23 46.2 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.36 -42.02 79.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.444 1.475 . . . . 0.0 109.458 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.52 -36.47 82.79 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.407 0.683 . . . . 0.0 110.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -44.7 79.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.135 0.574 . . . . 0.0 110.595 171.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.06 87.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.184 0.447 . . . . 0.0 109.878 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.9 mmt -65.17 -39.05 92.37 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.611 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.97 -51.45 59.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 119.499 1.045 . . . . 0.0 111.275 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -54.94 -49.28 71.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.014 0.526 . . . . 0.0 110.862 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.17 -46.58 82.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.195 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.04 -51.34 64.63 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.918 0.781 . . . . 0.0 110.063 -171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -37.41 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.902 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.18 -50.4 68.25 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.823 0.738 . . . . 0.0 109.743 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.3 -41.61 89.42 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.473 0.709 . . . . 0.0 110.891 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.96 -25.71 67.24 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -93.31 -37.74 11.87 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 111.474 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.9 124.11 18.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.316 0.646 . . . . 0.0 109.408 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.69 50.76 1.01 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.638 1.975 . . . . 0.0 108.801 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -70.47 153.91 94.76 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 121.096 -1.002 . . . . 0.0 111.059 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 150.73 87.71 Favored 'Cis proline' 0 CA--C 1.537 0.635 0 CA-C-N 119.305 0.787 . . . . 0.0 110.427 -10.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -138.42 -172.26 3.24 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.908 1.283 . . . . 0.0 108.363 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.8 ptm -130.76 168.76 16.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 119.459 1.027 . . . . 0.0 111.565 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -176.96 39.32 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-O 122.174 0.874 . . . . 0.0 111.74 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -118.14 119.74 35.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -77.17 108.28 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -81.03 49.21 1.2 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.063 1.745 . . . . 0.0 108.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.461 0.092 0 C-N-CA 124.558 1.143 . . . . 0.0 111.45 -168.883 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -128.63 94.47 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -169.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -98.58 119.73 37.79 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 m -70.03 134.47 48.31 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.26 155.15 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.911 0.484 . . . . 0.0 111.668 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -107.02 116.35 31.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.1 110.97 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.87 -30.66 56.33 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.079 0.552 . . . . 0.0 112.121 -169.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.37 -178.46 34.6 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.219 -1.952 . . . . 0.0 108.219 -174.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.42 149.28 48.75 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.365 -0.491 . . . . 0.0 110.411 173.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.12 171.21 6.94 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.225 1.01 . . . . 0.0 110.426 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.21 148.95 9.44 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.066 2.511 . . . . 0.0 112.736 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.41 -28.56 67.03 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.264 0.626 . . . . 0.0 111.859 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.46 -34.44 74.39 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.261 0.624 . . . . 0.0 111.611 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.67 -47.92 70.98 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.39 15.0 0.5 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -170.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.38 -11.79 60.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.116 0.871 . . . . 0.0 112.04 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.87 -19.61 0.81 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -155.48 151.54 27.84 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -77.57 81.2 4.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.07 149.12 35.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.22 142.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.248 1.019 . . . . 0.0 108.913 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.17 142.66 43.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 p -149.49 139.95 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -169.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.88 138.0 51.58 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.33 1.052 . . . . 0.0 108.851 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.35 66.72 9.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 124.426 1.09 . . . . 0.0 110.957 -170.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.4 pt -58.33 -19.01 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.64 -0.663 . . . . 0.0 112.561 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.43 88.61 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.839 1.209 . . . . 0.0 113.056 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.08 -94.71 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 119.167 1.484 . . . . 0.0 111.06 -174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -60.11 -36.63 77.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 117.758 0.779 . . . . 0.0 112.373 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 59.83 -25.45 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 130.387 3.475 . . . . 0.0 116.411 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -118.37 11.12 12.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.056 1.742 . . . . 0.0 111.11 -172.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.66 164.13 28.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.239 1.016 . . . . 0.0 110.33 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.4 p -135.39 149.62 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.656 1.583 . . . . 0.0 110.067 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.33 -171.35 3.18 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.459 2.303 . . . . 0.0 108.435 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.47 146.36 48.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.32 42.1 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.595 1.158 . . . . 0.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -82.7 125.5 31.3 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.58 -29.38 69.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.574 1.079 . . . . 0.0 111.271 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' ' HE1' ' A' ' 116' ' ' TRP . 2.7 p -61.85 -20.88 64.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.967 1.307 . . . . 0.0 112.998 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -103.78 10.88 36.4 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.093 0.957 . . . . 0.0 111.343 -174.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.94 154.47 22.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.91 1.684 . . . . 0.0 108.941 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -120.95 117.88 28.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.84 139.45 40.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -129.65 143.3 41.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.041 1.337 . . . . 0.0 107.693 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.3 t70 56.61 23.36 7.63 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.672 1.589 . . . . 0.0 113.928 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.8 m -79.28 164.65 3.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.046 0.939 . . . . 0.0 111.65 175.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.35 157.08 38.71 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.37 169.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.92 -44.54 82.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.529 0.731 . . . . 0.0 111.823 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -73.09 -27.8 61.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.192 0.906 . . . . 0.0 110.927 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 53.6 m -69.35 -49.87 51.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 173.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.05 -46.14 85.85 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.549 0.613 . . . . 0.0 109.778 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.38 -36.48 83.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.215 0.606 . . . . 0.0 111.252 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.42 84.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.239 0.927 . . . . 0.0 110.571 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.25 -43.13 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.68 95.1 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.682 0.793 . . . . 0.0 110.665 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.2 -39.91 82.31 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.6 0.636 . . . . 0.0 111.607 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.439 ' HE1' ' N ' ' A' ' 98' ' ' SER . 2.7 t-105 -58.14 -44.72 87.98 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.226 0.61 . . . . 0.0 110.437 170.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.69 -45.26 93.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.91 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.21 -40.53 97.75 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.251 0.932 . . . . 0.0 111.559 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 119' ' ' TRP . 2.8 t90 -51.73 -65.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 169.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 -31.19 70.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.815 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 124.886 1.274 . . . . 0.0 112.944 175.66 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.8 -2.49 2.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.312 0.645 . . . . 0.0 112.733 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -135.41 148.66 49.41 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.737 1.215 . . . . 0.0 108.62 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -48.89 -38.26 22.08 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.1 -43.35 74.68 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.427 1.012 . . . . 0.0 109.573 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.59 -35.21 75.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.634 0.774 . . . . 0.0 109.94 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -72.34 -30.9 65.18 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.187 -0.945 . . . . 0.0 110.911 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.3 86.12 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.796 0.725 . . . . 0.0 109.637 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.9 -36.76 83.0 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.531 -0.731 . . . . 0.0 111.603 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -53.34 39.48 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.3 0.954 . . . . 0.0 111.141 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -51.62 -54.45 27.68 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.42 0.688 . . . . 0.0 110.606 171.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -54.78 -48.4 72.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.26 0.624 . . . . 0.0 110.88 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.29 -53.3 57.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.63 0.65 . . . . 0.0 110.118 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -35.06 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.49 -176.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.22 -51.53 63.25 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.434 0.561 . . . . 0.0 109.62 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.04 -39.08 84.7 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.493 0.717 . . . . 0.0 110.96 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.43 -26.57 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.9 m -88.78 -40.36 13.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.484 0.713 . . . . 0.0 111.348 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 130.68 47.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 109.695 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.81 20.2 0.47 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.526 1.53 . . . . 0.0 112.591 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -45.7 146.57 1.82 Allowed Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.87 1.668 . . . . 0.0 114.977 -168.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -61.38 151.93 57.43 Favored 'Cis proline' 0 CA--C 1.539 0.759 0 CA-C-N 118.954 0.662 . . . . 0.0 113.19 -10.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -141.79 -171.56 3.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.474 1.51 . . . . 0.0 107.934 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ptm -131.26 167.34 19.37 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.999 1.272 . . . . 0.0 112.415 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.98 -177.25 39.12 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 121.78 0.656 . . . . 0.0 112.05 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.35 120.41 39.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -77.49 108.25 10.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -79.55 53.55 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.583 1.553 . . . . 0.0 109.889 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt . . . . . 0 CA--C 1.523 -0.075 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -171.754 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.05 100.66 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -169.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -105.52 119.72 39.83 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -70.36 132.14 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.84 153.91 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.993 0.517 . . . . 0.0 111.842 -171.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -104.43 125.5 50.69 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 168.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.43 108.78 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.7 -29.01 58.85 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 111.717 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.49 -178.72 33.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.99 149.74 46.71 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.427 -0.454 . . . . 0.0 109.943 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -71.3 175.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 123.335 0.654 . . . . 0.0 110.212 169.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 84.0 Cg_exo -49.3 143.07 20.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.344 2.696 . . . . 0.0 113.246 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.7 -39.07 64.87 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 125.002 1.321 . . . . 0.0 110.228 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.57 -36.16 82.97 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.229 1.012 . . . . 0.0 111.858 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -72.99 -37.07 67.15 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.77 13.21 1.39 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.29 -5.39 39.23 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.429 1.092 . . . . 0.0 111.745 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -141.0 -22.79 0.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.094 0.958 . . . . 0.0 113.226 -169.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -158.32 157.76 33.07 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.503 1.047 . . . . 0.0 108.942 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -84.88 81.9 8.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.073 0.851 . . . . 0.0 109.061 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.6 149.05 33.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.014 0.526 . . . . 0.0 110.189 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 m -133.84 143.66 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.328 1.051 . . . . 0.0 109.0 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.99 141.26 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.9 138.88 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.96 54.05 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.169 0.988 . . . . 0.0 108.525 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -80.68 67.54 6.59 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.021 1.328 . . . . 0.0 109.73 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.85 -12.08 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 121.051 -1.031 . . . . 0.0 112.855 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.93 -3.84 59.03 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.33 -1.261 . . . . 0.0 113.132 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.01 -6.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.917 0 CA-C-N 119.673 1.737 . . . . 0.0 116.943 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -140.43 -45.51 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.311 2.055 . . . . 0.0 109.298 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 58.47 -26.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.694 3.198 . . . . 0.0 115.524 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.97 6.06 24.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.62 1.568 . . . . 0.0 112.054 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -137.08 162.61 32.88 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.589 0.756 . . . . 0.0 111.102 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.9 t -135.24 150.78 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.642 1.577 . . . . 0.0 109.169 -169.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.76 -170.11 2.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.842 2.457 . . . . 0.0 107.977 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 m -123.41 147.66 46.89 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.82 161.42 37.28 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 124.563 1.145 . . . . 0.0 110.135 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 126.85 31.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 171.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.57 -31.09 65.8 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.288 0.494 . . . . 0.0 110.497 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -54.61 -17.6 3.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.769 2.027 . . . . 0.0 113.883 173.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.77 13.87 16.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.338 1.055 . . . . 0.0 111.846 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -121.86 154.05 26.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 125.427 1.491 . . . . 0.0 109.427 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -119.67 120.6 37.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 170.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.46 139.9 41.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -128.07 144.7 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.929 1.292 . . . . 0.0 108.166 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.86 26.93 12.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 113.5 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m -90.55 164.56 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.091 0.956 . . . . 0.0 111.45 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.39 157.71 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.01 1.324 . . . . 0.0 109.346 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.2 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.118 0.967 . . . . 0.0 112.14 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.41 -36.2 71.25 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.356 0.98 . . . . 0.0 110.923 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.8 m -63.71 -51.11 66.47 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.702 0.801 . . . . 0.0 109.014 173.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.86 -44.95 93.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -63.34 -36.6 84.22 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.402 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.28 90.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.357 0.98 . . . . 0.0 110.252 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.4 -43.09 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.62 96.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.443 0.697 . . . . 0.0 110.383 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.91 -35.43 76.83 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.153 0.433 . . . . 0.0 111.475 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.27 -46.56 89.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.391 0.541 . . . . 0.0 110.176 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.58 -41.84 99.19 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.94 -0.475 . . . . 0.0 110.526 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -62.73 -45.76 91.24 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.302 0.501 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.2 -38.43 79.86 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.917 0.78 . . . . 0.0 111.732 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -50.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 123.463 0.705 . . . . 0.0 112.349 176.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.92 2.12 1.72 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.004 0.922 . . . . 0.0 112.728 -173.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -129.38 145.64 51.37 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.182 1.393 . . . . 0.0 107.827 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -36.14 33.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.47 -43.97 62.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.768 1.167 . . . . 0.0 109.129 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -66.56 -34.68 78.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.226 0.61 . . . . 0.0 109.967 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -73.23 -31.37 64.1 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 121.022 -1.049 . . . . 0.0 111.248 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.46 87.2 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.287 0.949 . . . . 0.0 109.389 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.6 -37.92 85.92 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.756 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.5 -52.8 45.49 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 120.032 1.287 . . . . 0.0 111.37 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -54.47 -48.71 71.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.577 0.751 . . . . 0.0 110.861 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -57.34 -47.76 80.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.157 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -62.28 -52.49 63.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.554 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.6 -36.93 76.65 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.911 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.53 -49.22 69.75 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.484 0.583 . . . . 0.0 109.966 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.2 -38.47 83.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.734 0.814 . . . . 0.0 110.922 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -25.1 64.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -95.59 -36.56 11.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.396 0.678 . . . . 0.0 111.829 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.36 118.18 6.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -83.99 51.93 2.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.567 0.747 . . . . 0.0 109.102 174.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -61.87 158.06 45.7 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 124.68 1.192 . . . . 0.0 111.756 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.83 156.8 89.96 Favored 'Cis proline' 0 C--N 1.35 0.624 0 CA-C-N 119.496 0.856 . . . . 0.0 111.637 -7.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.39 -170.4 3.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.103 1.361 . . . . 0.0 108.759 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.21 170.24 15.29 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 119.373 0.988 . . . . 0.0 111.441 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.02 -177.34 39.73 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-O 122.158 0.866 . . . . 0.0 112.542 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -118.94 118.82 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 169.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.23 109.08 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -78.1 55.76 1.53 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.082 1.353 . . . . 0.0 109.215 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 124.12 0.968 . . . . 0.0 109.849 -169.596 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.69 91.0 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -173.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.33 118.86 33.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -70.53 133.31 46.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.73 156.95 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.407 0.683 . . . . 0.0 111.41 -171.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -107.0 126.37 52.23 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 169.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.61 111.38 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.92 -30.07 55.95 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.336 0.655 . . . . 0.0 111.612 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.47 33.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -63.4 150.25 43.99 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.486 . . . . 0.0 110.182 171.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 170.31 6.63 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 123.911 0.884 . . . . 0.0 110.173 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.72 146.88 14.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.813 2.342 . . . . 0.0 112.263 171.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -58.85 -28.48 66.13 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.128 0.571 . . . . 0.0 111.643 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.48 -34.08 77.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.285 0.634 . . . . 0.0 111.8 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.76 -41.38 65.13 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -75.55 12.74 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -171.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.33 -13.08 61.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.079 0.952 . . . . 0.0 111.781 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.18 -23.63 1.7 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -157.01 151.82 25.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.462 1.028 . . . . 0.0 108.675 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 80.25 4.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.867 0.867 . . . . 0.0 108.713 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.49 152.03 32.26 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.771 0.828 . . . . 0.0 109.998 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.24 144.22 36.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.613 1.165 . . . . 0.0 109.023 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.37 141.11 43.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 169.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.93 136.68 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -169.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.31 133.55 52.9 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.33 73.8 9.34 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.915 0.886 . . . . 0.0 109.883 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.6 pt -62.15 -5.36 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.68 -12.16 48.29 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 118.297 -1.28 . . . . 0.0 112.852 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.06 -11.79 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.618 1.709 . . . . 0.0 116.543 -169.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -135.98 -44.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.867 1.833 . . . . 0.0 110.502 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.8 -25.25 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.48 3.112 . . . . 0.0 115.902 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -117.43 9.93 13.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.039 1.736 . . . . 0.0 111.273 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -133.66 161.19 35.34 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.408 1.083 . . . . 0.0 110.367 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -135.29 148.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.165 1.386 . . . . 0.0 109.664 -168.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.37 -169.54 2.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 128.001 2.52 . . . . 0.0 107.873 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.29 146.88 47.53 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.68 160.46 38.77 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 124.658 1.183 . . . . 0.0 109.986 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.05 128.87 33.81 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 171.608 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.46 -33.42 69.73 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.356 0.98 . . . . 0.0 109.965 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -51.3 -18.05 0.87 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.121 2.569 . . . . 0.0 114.48 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -123.42 13.23 9.47 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.899 0.88 . . . . 0.0 112.292 -171.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.13 152.52 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 125.266 1.426 . . . . 0.0 109.342 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -112.73 120.86 42.97 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.57 139.93 37.35 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.0 mt -129.91 143.88 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.14 1.376 . . . . 0.0 107.657 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.34 21.82 7.18 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.738 1.615 . . . . 0.0 113.848 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.6 m -77.97 163.62 3.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 124.064 0.946 . . . . 0.0 111.841 176.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.41 157.23 38.42 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.366 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.4 -44.06 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 111.974 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.41 -29.6 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.266 0.939 . . . . 0.0 110.824 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.8 m -67.59 -50.51 57.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.13 -46.44 85.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.697 0.68 . . . . 0.0 110.086 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -62.94 -37.42 86.99 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.201 0.601 . . . . 0.0 111.078 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.5 93.62 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.182 0.901 . . . . 0.0 110.569 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.65 -45.76 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.54 92.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.096 0.558 . . . . 0.0 110.387 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -37.04 79.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 46.8 t-105 -59.17 -46.94 87.09 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.719 0.407 . . . . 0.0 109.987 170.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.21 -40.99 99.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.286 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -63.56 -44.94 92.67 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.891 0.768 . . . . 0.0 110.599 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -60.34 -38.94 85.33 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.8 -0.563 . . . . 0.0 111.267 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.38 -47.18 83.15 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.754 1.222 . . . . 0.0 112.814 -179.587 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.82 -1.17 1.84 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -133.77 148.9 51.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.797 1.239 . . . . 0.0 108.238 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.28 -37.11 45.53 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.98 -44.19 73.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.926 1.239 . . . . 0.0 109.369 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.07 -36.07 81.21 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.703 0.801 . . . . 0.0 110.056 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.53 -32.04 64.0 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 121.195 -0.941 . . . . 0.0 111.123 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.14 98.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.995 0.816 . . . . 0.0 109.352 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.4 mmt -60.86 -41.27 95.54 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.081 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.1 -52.76 49.39 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 119.617 1.099 . . . . 0.0 111.737 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -53.99 -50.91 65.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.384 0.674 . . . . 0.0 110.852 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.01 -46.08 82.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.205 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -61.24 -50.94 71.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.909 0.777 . . . . 0.0 109.881 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -34.77 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.72 -177.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.02 -52.45 62.86 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.541 1.064 . . . . 0.0 109.621 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.18 -36.35 75.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.915 0.779 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -69.68 -26.43 64.37 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.3 m -98.53 -34.16 10.71 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.867 0.867 . . . . 0.0 112.358 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 109' ' ' THR . 65.7 mt -66.83 3.66 1.01 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -169.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 19.36 60.13 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 130.98 3.712 . . . . 0.0 114.17 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.23 156.56 10.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.692 1.197 . . . . 0.0 113.258 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.12 162.91 91.84 Favored 'Cis proline' 0 CA--C 1.537 0.651 0 CA-C-N 118.562 0.522 . . . . 0.0 111.114 -10.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -143.55 -171.61 3.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -136.32 166.13 24.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.634 1.106 . . . . 0.0 112.62 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.86 -177.44 37.42 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.108 0.838 . . . . 0.0 111.357 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.5 122.05 46.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -76.9 108.55 10.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.78 53.82 2.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.705 1.602 . . . . 0.0 108.43 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.465 0.292 0 C-N-CA 125.202 1.401 . . . . 0.0 110.167 -169.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.6 105.1 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -169.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -110.68 120.23 41.74 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -70.02 132.08 45.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 m -140.34 145.67 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.031 0.532 . . . . 0.0 110.923 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.17 131.69 43.67 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.16 114.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.66 -31.21 22.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.847 0.859 . . . . 0.0 112.362 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.03 167.68 29.04 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.4 mtp -71.37 152.41 43.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.443 0.622 . . . . 0.0 109.485 169.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.61 165.76 27.71 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.518 1.127 . . . . 0.0 112.257 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.26 158.7 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.548 3.499 . . . . 0.0 114.935 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.16 -36.62 13.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.155 1.782 . . . . 0.0 112.001 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.48 -24.19 67.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.423 0.689 . . . . 0.0 112.448 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -102.72 -46.04 4.83 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.205 1.002 . . . . 0.0 110.045 -174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.8 p -71.44 -2.43 16.59 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.17 -10.41 59.74 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.417 1.087 . . . . 0.0 112.235 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -26.28 1.16 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -156.62 149.85 24.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.651 1.114 . . . . 0.0 109.868 -174.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.85 75.76 7.78 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.227 1.011 . . . . 0.0 109.336 -172.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.47 153.04 25.83 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.676 0.79 . . . . 0.0 109.841 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.8 m -136.52 145.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 125.402 1.481 . . . . 0.0 108.811 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.32 141.06 40.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.28 141.12 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -169.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.31 135.17 53.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -82.51 66.34 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.438 1.095 . . . . 0.0 110.839 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 pt -59.05 -17.02 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.553 -0.717 . . . . 0.0 112.518 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 -3.89 87.46 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.908 1.242 . . . . 0.0 113.167 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.6 -93.77 0.1 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 119.292 1.546 . . . . 0.0 111.263 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.31 -37.1 76.92 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 117.934 0.867 . . . . 0.0 112.359 -172.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.92 -25.47 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.22 3.408 . . . . 0.0 116.141 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.16 9.94 13.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.004 1.722 . . . . 0.0 111.244 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -134.51 162.75 31.39 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.042 0.937 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.89 145.61 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.879 1.672 . . . . 0.0 109.064 -169.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.75 -172.79 3.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.721 2.408 . . . . 0.0 107.801 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -122.83 143.74 49.66 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.98 152.85 51.37 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.956 1.303 . . . . 0.0 108.89 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 128.84 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.57 -31.67 68.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.309 0.504 . . . . 0.0 110.448 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -51.51 -19.8 1.61 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.916 2.486 . . . . 0.0 114.237 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.35 13.98 14.63 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.322 1.049 . . . . 0.0 111.534 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -119.63 153.21 22.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 125.383 1.473 . . . . 0.0 109.467 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -119.44 118.04 30.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.02 140.54 37.93 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.1 mt -129.23 141.31 46.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 124.176 0.991 . . . . 0.0 108.93 -174.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.5 38.4 22.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.815 1.646 . . . . 0.0 112.782 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.2 p -112.83 164.7 8.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.742 0.817 . . . . 0.0 110.828 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 154.37 40.82 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.882 0.873 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.02 -42.36 76.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.13 0.972 . . . . 0.0 112.154 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.42 -34.65 70.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.434 1.015 . . . . 0.0 110.707 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 m -63.9 -53.25 53.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 108.8 174.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -45.38 91.21 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.268 0.627 . . . . 0.0 109.882 -178.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.26 -37.34 86.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.271 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.48 95.7 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.451 1.023 . . . . 0.0 110.669 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.54 -44.75 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.92 89.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.061 0.545 . . . . 0.0 110.321 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -68.03 -38.38 82.47 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.845 0.458 . . . . 0.0 111.713 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.14 -45.8 90.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.372 0.533 . . . . 0.0 110.581 170.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.99 -41.56 97.47 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.91 -0.493 . . . . 0.0 110.468 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -64.14 -41.81 97.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.593 0.633 . . . . 0.0 110.582 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -60.6 -40.62 92.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.887 0.767 . . . . 0.0 110.983 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.51 -44.37 97.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 124.448 1.099 . . . . 0.0 111.964 176.448 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.355 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.49 -2.4 2.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.409 1.084 . . . . 0.0 112.16 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.33 147.73 45.9 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.37 1.068 . . . . 0.0 109.434 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -53.41 -36.05 61.08 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 118.193 -0.908 . . . . 0.0 113.228 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.93 -42.95 84.46 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.655 1.116 . . . . 0.0 109.527 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.88 -43.16 93.84 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.384 0.674 . . . . 0.0 109.488 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -69.08 -33.79 74.1 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.149 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.17 90.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.708 0.686 . . . . 0.0 109.8 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.5 mmt -68.41 -37.23 80.12 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.695 0.68 . . . . 0.0 111.694 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.53 -50.67 61.37 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.09 0.859 . . . . 0.0 111.126 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -53.12 -52.27 59.21 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.262 0.625 . . . . 0.0 110.768 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.78 -48.14 75.83 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.238 0.615 . . . . 0.0 111.291 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -62.93 -52.19 64.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.374 0.534 . . . . 0.0 110.209 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -34.67 73.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.569 -0.853 . . . . 0.0 110.42 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.14 -53.61 50.73 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 118.517 0.599 . . . . 0.0 109.74 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.59 0.632 . . . . 0.0 110.929 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.21 -27.33 68.98 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -89.65 -38.77 13.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.897 0.879 . . . . 0.0 111.456 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.03 122.1 11.55 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 123.586 0.754 . . . . 0.0 109.878 -174.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.79 50.64 0.86 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.555 1.942 . . . . 0.0 108.982 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -71.36 153.07 94.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 O-C-N 120.977 -1.077 . . . . 0.0 111.081 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -70.05 150.55 91.07 Favored 'Cis proline' 0 CA--C 1.538 0.714 0 CA-C-N 119.255 0.77 . . . . 0.0 110.844 -10.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -141.17 -168.15 2.55 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.282 1.433 . . . . 0.0 108.351 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptm -132.43 167.17 20.42 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 119.42 1.009 . . . . 0.0 112.033 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.52 -177.84 38.14 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-O 122.145 0.858 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.02 120.69 37.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 171.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.0 110.48 11.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.7 59.31 3.02 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.533 1.533 . . . . 0.0 108.075 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 125.778 1.631 . . . . 0.0 108.703 -172.347 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.12 104.03 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -103.49 117.2 33.91 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -68.22 133.34 48.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.14 146.54 25.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.166 0.587 . . . . 0.0 110.376 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.62 115.89 28.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.67 108.79 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.75 -30.39 51.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 123.216 0.606 . . . . 0.0 111.756 -169.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.34 179.65 34.3 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.199 -1.96 . . . . 0.0 108.199 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.1 mmm -64.04 149.28 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.31 12.26 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.691 0.797 . . . . 0.0 109.09 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.66 138.65 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.797 2.332 . . . . 0.0 111.885 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -58.07 -29.67 65.59 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.812 0.845 . . . . 0.0 112.01 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.66 -31.92 72.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.056 0.943 . . . . 0.0 112.129 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.92 -18.91 42.0 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.883 -0.51 . . . . 0.0 110.826 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -100.21 20.2 15.08 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.093 0.957 . . . . 0.0 112.56 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.08 -0.41 21.76 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 112.516 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -146.18 -24.01 0.44 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -154.83 136.6 14.44 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -173.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.58 128.65 36.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.384 0.993 . . . . 0.0 109.706 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -122.56 153.11 39.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 109.257 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.85 144.77 31.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.231 1.012 . . . . 0.0 108.85 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.53 140.32 39.73 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.4 140.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.44 0.696 . . . . 0.0 109.679 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.28 135.81 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.75 63.56 6.94 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.383 1.073 . . . . 0.0 111.51 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.47 -18.72 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 121.496 -0.752 . . . . 0.0 112.758 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.59 85.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.913 1.245 . . . . 0.0 113.067 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.59 -97.43 0.16 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 119.123 1.461 . . . . 0.0 110.711 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.94 -34.03 74.09 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 117.758 0.779 . . . . 0.0 112.716 -171.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 60.7 -25.47 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.055 3.342 . . . . 0.0 116.093 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -116.0 10.2 15.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.966 1.706 . . . . 0.0 111.278 -172.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -135.69 163.49 30.04 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.127 0.971 . . . . 0.0 110.653 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.09 148.05 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 110.234 -168.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -141.71 -172.03 3.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.495 2.318 . . . . 0.0 108.31 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -123.15 147.45 46.81 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.29 154.39 51.33 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.802 1.241 . . . . 0.0 109.709 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -71.76 125.0 26.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 104.786 -2.302 . . . . 0.0 104.786 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.59 -34.25 72.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.084 0.856 . . . . 0.0 109.282 170.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -54.0 -12.16 0.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 129.06 2.944 . . . . 0.0 114.417 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -126.8 15.63 7.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.258 1.023 . . . . 0.0 111.705 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.13 155.47 21.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.554 1.542 . . . . 0.0 109.245 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -121.82 119.01 30.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.15 139.17 38.99 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.6 mt -131.3 144.54 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.481 1.113 . . . . 0.0 108.644 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.25 38.07 23.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.497 1.519 . . . . 0.0 113.08 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -115.18 168.45 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.846 0.858 . . . . 0.0 110.565 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.49 151.49 44.23 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.711 0.804 . . . . 0.0 110.492 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -55.52 -42.27 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.179 0.992 . . . . 0.0 111.898 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.91 -27.61 61.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.106 0.866 . . . . 0.0 111.2 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 105' ' ' VAL . 96.5 m -71.54 -49.22 42.86 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -46.39 88.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.11 -38.33 90.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.81 97.86 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.666 1.121 . . . . 0.0 110.45 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.36 -46.11 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.485 0.714 . . . . 0.0 109.093 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.52 91.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.119 0.568 . . . . 0.0 110.346 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.76 -35.51 77.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 119.256 -0.402 . . . . 0.0 112.024 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -60.33 -47.42 86.1 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.583 0.629 . . . . 0.0 110.139 170.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.44 -45.05 95.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.692 0.397 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -62.22 -45.58 92.71 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.623 0.769 . . . . 0.0 110.758 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -57.85 -47.27 83.18 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.959 0.504 . . . . 0.0 110.559 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.23 -47.68 84.95 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.008 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.87 -7.43 2.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 0.0 111.106 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.34 152.39 41.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.057 1.343 . . . . 0.0 108.941 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -31.48 30.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.36 -42.61 68.24 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.219 0.918 . . . . 0.0 109.103 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -68.97 -35.19 76.44 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -59.17 -41.41 88.34 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.565 -0.709 . . . . 0.0 110.444 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.8 92.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.021 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mmt -61.82 -42.86 99.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.921 0.782 . . . . 0.0 111.215 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.6 63.3 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 118.963 0.801 . . . . 0.0 111.259 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -57.09 -49.06 77.04 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.84 0.456 . . . . 0.0 110.889 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.4 -47.75 82.87 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.044 0.538 . . . . 0.0 110.352 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -55.84 29.94 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.097 0.959 . . . . 0.0 110.522 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.24 -36.98 77.76 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.055 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.69 -51.37 59.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.205 0.457 . . . . 0.0 109.926 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.47 -38.21 83.52 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.495 0.589 . . . . 0.0 110.995 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.37 -25.19 66.68 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -93.03 -37.94 11.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.675 0.79 . . . . 0.0 111.584 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.21 121.82 11.65 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.629 0.772 . . . . 0.0 109.759 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.78 51.57 1.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.734 2.014 . . . . 0.0 108.895 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -71.07 155.3 93.44 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 121.108 -0.995 . . . . 0.0 111.426 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.94 152.96 90.69 Favored 'Cis proline' 0 CA--C 1.537 0.644 0 CA-C-N 119.306 0.788 . . . . 0.0 111.083 -10.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -141.4 -168.32 2.61 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.234 1.414 . . . . 0.0 108.526 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -135.3 169.58 17.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 119.48 1.036 . . . . 0.0 111.552 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.23 -179.58 40.76 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-O 121.773 0.651 . . . . 0.0 111.883 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -115.31 120.77 40.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -77.27 105.4 8.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 168.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -77.25 53.79 1.04 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.932 1.693 . . . . 0.0 107.313 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 126.141 1.777 . . . . 0.0 112.412 -168.349 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -130.71 105.3 7.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -169.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -114.36 118.15 33.05 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -69.93 132.32 45.78 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.79 145.96 28.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.357 0.663 . . . . 0.0 110.757 -174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -96.93 122.32 39.78 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 103.722 -2.696 . . . . 0.0 103.722 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.17 109.02 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.45 -34.77 79.07 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.154 0.581 . . . . 0.0 110.406 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.83 -176.16 33.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -173.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.0 tpt -62.67 145.48 54.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.067 0.547 . . . . 0.0 109.596 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 167.88 11.2 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.571 0.749 . . . . 0.0 111.102 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.62 150.6 5.86 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.15 2.567 . . . . 0.0 112.818 171.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.93 -33.31 64.59 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.104 0.962 . . . . 0.0 111.384 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.93 -30.57 69.92 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.239 1.016 . . . . 0.0 112.355 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -75.65 -42.67 50.75 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.0 m -78.05 15.79 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.422 1.089 . . . . 0.0 113.634 -173.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -15.88 61.89 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.772 1.229 . . . . 0.0 112.488 -177.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -142.16 -31.94 0.52 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.635 0.774 . . . . 0.0 112.898 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.79 156.79 43.82 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.312 1.045 . . . . 0.0 109.309 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -85.78 118.67 25.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.777 0.831 . . . . 0.0 109.589 -173.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -129.05 153.0 48.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.253 1.021 . . . . 0.0 109.634 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.17 145.91 32.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 124.247 1.019 . . . . 0.0 108.644 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -81.32 139.4 35.41 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.7 139.43 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.746 0.819 . . . . 0.0 110.046 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.48 135.17 44.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.5 66.23 5.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.175 0.99 . . . . 0.0 110.159 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 pt -59.54 -13.47 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 121.38 -0.825 . . . . 0.0 112.702 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.69 -10.47 65.12 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.21 -1.328 . . . . 0.0 113.246 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.48 -25.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-N 119.612 1.706 . . . . 0.0 116.127 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.26 -40.11 0.47 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.651 1.725 . . . . 0.0 111.517 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 60.51 -34.38 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.801 3.241 . . . . 0.0 115.487 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.71 0.51 57.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.254 1.421 . . . . 0.0 113.176 -169.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -137.8 164.03 29.92 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.045 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.83 148.42 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.805 1.642 . . . . 0.0 109.228 -169.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -141.47 -173.48 3.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 128.113 2.565 . . . . 0.0 107.398 -176.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.6 m -123.89 147.71 47.44 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.73 148.65 50.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.802 1.241 . . . . 0.0 109.017 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 129.34 38.61 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 169.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.1 -31.49 70.09 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -49.4 -23.19 1.39 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.349 171.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -116.22 12.89 15.56 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.979 0.809 . . . . 0.0 112.14 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.43 155.09 19.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 125.226 1.41 . . . . 0.0 109.416 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -122.23 131.65 54.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.44 140.96 32.04 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -129.35 142.42 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 125.002 1.321 . . . . 0.0 107.556 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.97 21.54 7.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.806 1.642 . . . . 0.0 114.084 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -79.68 166.31 2.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.165 0.986 . . . . 0.0 111.618 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.94 161.96 27.96 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.34 -42.43 86.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.265 0.626 . . . . 0.0 112.429 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -39.97 75.43 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.242 0.928 . . . . 0.0 110.579 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.5 m -60.1 -49.82 76.12 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.81 1.244 . . . . 0.0 110.187 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.59 -47.33 86.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.685 0.675 . . . . 0.0 109.759 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.41 -36.98 84.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.056 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.41 92.57 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.373 0.988 . . . . 0.0 110.835 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.22 -45.49 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.85 82.78 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.45 0.7 . . . . 0.0 110.806 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.04 -46.41 89.61 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.773 0.829 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.78 -44.39 96.86 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.766 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.16 -44.86 94.28 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.113 0.415 . . . . 0.0 110.331 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -63.05 -41.93 99.59 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.298 0.639 . . . . 0.0 110.6 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -63.14 -49.77 73.05 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.551 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.5 tp -66.22 -29.19 69.4 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.754 1.161 . . . . 0.0 110.817 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 123.958 0.903 . . . . 0.0 112.418 171.414 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.9 0.381 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.81 -0.7 2.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.99 151.42 49.89 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.518 1.127 . . . . 0.0 108.637 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -44.41 -40.35 5.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.413 . . . . 0.0 113.618 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.98 -46.29 36.34 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.244 0.929 . . . . 0.0 108.71 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -64.34 -36.98 85.88 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.84 0.856 . . . . 0.0 109.872 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -73.28 -34.07 65.57 Favored 'General case' 0 C--O 1.231 0.093 0 O-C-N 121.466 -0.771 . . . . 0.0 110.998 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.146 0.884 . . . . 0.0 109.502 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.63 -39.18 88.16 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.674 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.22 -52.22 45.5 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 119.471 1.032 . . . . 0.0 111.325 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -54.59 -50.58 67.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.402 0.681 . . . . 0.0 110.913 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -56.52 -47.66 78.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.163 0.585 . . . . 0.0 110.957 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.03 -52.19 64.94 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.404 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -36.75 74.6 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.004 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.39 -49.95 67.33 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.673 0.669 . . . . 0.0 109.838 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.63 -39.09 83.17 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.353 0.661 . . . . 0.0 110.971 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 83.5 m -93.96 -37.8 11.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.695 0.798 . . . . 0.0 111.671 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.58 123.18 15.4 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 109.642 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.47 51.7 1.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.362 1.865 . . . . 0.0 108.835 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -70.99 153.03 94.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 O-C-N 120.983 -1.073 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.16 150.74 91.66 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.25 0.768 . . . . 0.0 110.669 -10.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -141.09 -170.15 2.99 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.141 1.376 . . . . 0.0 108.334 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -131.72 166.9 20.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.649 1.113 . . . . 0.0 112.056 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.96 -178.56 38.92 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -114.3 122.64 47.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -75.98 105.77 7.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -84.54 50.35 1.87 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.695 1.598 . . . . 0.0 108.012 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt . . . . . 0 N--CA 1.458 -0.05 0 C-N-CA 124.793 1.237 . . . . 0.0 110.577 -168.839 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.37 116.54 18.43 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -123.47 122.63 38.73 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -70.95 132.76 45.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -139.87 146.95 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.0 0.52 . . . . 0.0 110.562 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.95 115.43 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.09 108.79 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.24 -30.41 54.5 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.085 0.554 . . . . 0.0 111.657 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.13 -179.62 34.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.49 149.71 48.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.344 -0.504 . . . . 0.0 110.426 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 171.15 6.91 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 123.984 0.914 . . . . 0.0 109.562 169.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.45 146.63 13.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.675 2.25 . . . . 0.0 112.254 171.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -29.14 64.72 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.208 0.603 . . . . 0.0 111.708 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 -34.31 77.57 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.706 0.802 . . . . 0.0 111.922 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.7 -40.56 72.79 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.3 15.44 0.96 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -171.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.22 -7.61 54.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.0 0.92 . . . . 0.0 112.249 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.78 -25.59 0.68 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -151.85 147.9 27.17 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -76.92 84.6 3.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -78.42 150.32 33.1 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.837 -0.539 . . . . 0.0 109.647 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 m -135.22 145.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.47 1.108 . . . . 0.0 108.771 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.52 143.64 38.27 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 169.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.16 142.28 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -169.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 135.36 54.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.6 65.51 7.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.288 1.035 . . . . 0.0 111.182 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.84 -17.98 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 121.487 -0.758 . . . . 0.0 112.573 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.84 -3.6 87.87 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.904 1.24 . . . . 0.0 113.03 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.29 -95.38 0.12 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 119.225 1.513 . . . . 0.0 111.098 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.33 -35.4 75.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.753 0.777 . . . . 0.0 112.481 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 60.34 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 130.268 3.427 . . . . 0.0 116.292 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.36 9.09 15.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.877 1.671 . . . . 0.0 111.257 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -135.27 163.39 30.08 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.914 0.886 . . . . 0.0 110.937 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.19 145.86 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.028 1.731 . . . . 0.0 109.291 -168.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -136.19 -174.67 3.75 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.208 2.203 . . . . 0.0 108.224 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 m -118.31 145.01 45.41 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 171.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.66 156.51 48.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.821 1.248 . . . . 0.0 109.25 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 128.58 33.82 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 173.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.91 -32.63 70.93 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.496 1.044 . . . . 0.0 109.569 169.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -54.3 -14.97 1.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.857 2.463 . . . . 0.0 114.198 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -123.55 15.23 9.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.131 1.373 . . . . 0.0 110.637 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -123.78 155.85 30.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 125.739 1.616 . . . . 0.0 109.509 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.25 118.72 27.45 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.96 140.14 40.36 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -130.63 142.85 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.627 1.171 . . . . 0.0 108.516 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.29 36.71 20.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.599 1.56 . . . . 0.0 113.273 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -110.46 168.71 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.832 0.853 . . . . 0.0 110.642 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.45 151.83 43.21 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.514 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.11 -42.97 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.089 0.956 . . . . 0.0 111.974 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -72.9 -27.29 61.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.271 0.941 . . . . 0.0 111.069 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 105' ' ' VAL . 92.2 m -72.52 -49.2 34.53 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -45.74 90.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -63.08 -41.64 99.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.974 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.69 90.97 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.913 1.233 . . . . 0.0 111.042 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.55 -45.67 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.92 78.97 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.365 0.53 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.87 -42.77 94.57 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.044 0.938 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -62.97 -44.96 94.63 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 123.084 0.554 . . . . 0.0 110.63 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.52 -46.89 86.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.443 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -33.9 72.23 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.736 0.698 . . . . 0.0 110.74 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -58.86 -39.16 80.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.445 1.02 . . . . 0.0 111.146 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.02 -43.66 86.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.429 -0.795 . . . . 0.0 108.896 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 123.748 0.819 . . . . 0.0 112.332 174.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.175 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.62 1.85 3.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.16 0.984 . . . . 0.0 111.594 -173.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -129.61 145.49 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.698 1.199 . . . . 0.0 108.495 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -34.12 43.54 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.49 -43.77 65.96 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 119.63 1.104 . . . . 0.0 109.099 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.54 -38.43 87.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.051 0.54 . . . . 0.0 109.794 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -70.9 -32.03 68.86 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.446 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.24 96.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.95 0.795 . . . . 0.0 109.861 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -65.45 -42.78 91.99 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.246 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.31 -50.68 55.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 119.009 0.822 . . . . 0.0 111.18 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -53.83 -57.15 11.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.292 0.637 . . . . 0.0 110.834 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.2 -46.75 69.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.531 0.732 . . . . 0.0 111.315 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.11 -54.25 46.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.815 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -36.13 70.85 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.612 -175.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.62 -54.04 33.18 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.68 -38.6 88.39 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.138 0.881 . . . . 0.0 111.413 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.24 -26.47 68.8 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.2 m -87.55 -30.04 20.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.973 0.909 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.02 123.7 17.45 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.1 0.864 . . . . 0.0 108.689 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.67 48.86 1.11 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.893 1.277 . . . . 0.0 109.137 172.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -64.52 154.35 84.53 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.277 1.031 . . . . 0.0 111.38 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.69 154.18 95.66 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 119.22 0.757 . . . . 0.0 111.021 -10.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -144.82 -167.88 2.78 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.24 1.416 . . . . 0.0 108.224 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.38 167.39 20.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.486 1.039 . . . . 0.0 112.283 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.38 -178.46 37.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.412 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -116.8 121.7 42.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.59 107.9 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.56 49.17 1.53 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.919 1.688 . . . . 0.0 108.996 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 CA--C 1.52 -0.19 0 C-N-CA 124.83 1.252 . . . . 0.0 109.839 -169.187 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.43 92.71 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -96.47 119.79 35.6 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -70.39 132.33 45.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -139.18 146.49 25.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 123.131 0.573 . . . . 0.0 110.98 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.38 132.39 41.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 104.079 -2.564 . . . . 0.0 104.079 168.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.63 112.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.62 -30.18 41.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.89 0.876 . . . . 0.0 111.714 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.85 174.18 23.01 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.218 -2.353 . . . . 0.0 107.218 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.3 mtp -65.41 151.84 45.34 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 117.919 0.86 . . . . 0.0 111.087 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -70.49 176.03 2.16 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.372 1.469 . . . . 0.0 111.297 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 92.5 Cg_exo -46.84 147.76 4.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.311 2.674 . . . . 0.0 112.808 169.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.01 -40.45 67.02 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.82 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.74 -28.03 66.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.609 0.764 . . . . 0.0 112.033 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.7 -45.43 36.9 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.355 -0.84 . . . . 0.0 109.488 170.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.0 m -70.95 6.36 1.59 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.49 1.116 . . . . 0.0 113.274 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.58 -7.76 59.63 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.179 2.192 . . . . 0.0 112.404 -172.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -137.63 -30.62 0.82 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.147 0.979 . . . . 0.0 112.574 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.63 159.3 36.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -86.0 129.39 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.875 1.216 . . . . 0.0 109.0 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -132.39 157.05 45.53 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.128 0.971 . . . . 0.0 110.076 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.45 145.71 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 124.184 0.994 . . . . 0.0 109.583 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.76 140.73 42.54 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.13 144.11 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -169.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.8 138.64 49.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -84.07 61.93 6.76 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 124.924 1.29 . . . . 0.0 110.322 -170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -58.0 -17.5 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.198 -0.939 . . . . 0.0 112.836 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.36 -11.37 78.15 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.43 -1.206 . . . . 0.0 113.377 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.11 -44.58 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.447 1.623 . . . . 0.0 114.324 -170.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -161.79 73.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.536 1.935 . . . . 0.0 106.449 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.01 -30.9 6.67 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.954 1.702 . . . . 0.0 112.383 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.88 -15.13 63.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.913 1.285 . . . . 0.0 113.39 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -120.51 156.42 31.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.395 0.998 . . . . 0.0 111.774 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.15 144.69 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.471 1.508 . . . . 0.0 109.088 -168.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.92 -170.96 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.23 2.212 . . . . 0.0 107.953 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.6 m -118.63 144.85 45.88 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 169.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 152.7 51.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.664 1.186 . . . . 0.0 109.222 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -72.34 124.98 26.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.96 -35.67 79.16 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -53.52 -13.17 0.56 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.953 2.901 . . . . 0.0 114.218 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.45 15.59 8.91 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.467 1.107 . . . . 0.0 111.667 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -119.58 154.1 22.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.947 1.299 . . . . 0.0 109.547 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -121.75 118.59 29.43 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.9 139.38 39.23 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.5 mt -129.81 141.84 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.315 1.046 . . . . 0.0 108.654 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.48 38.27 25.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.539 1.536 . . . . 0.0 113.013 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -114.0 167.27 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.824 0.85 . . . . 0.0 110.826 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.51 152.4 45.28 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.921 0.889 . . . . 0.0 110.75 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.53 -40.61 68.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.579 1.152 . . . . 0.0 112.185 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.7 -31.17 63.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.334 0.97 . . . . 0.0 111.037 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG21 ' A' ' 105' ' ' VAL . 97.1 m -68.98 -50.71 46.61 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -45.77 85.63 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.72 -38.57 91.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.635 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.74 96.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.019 1.281 . . . . 0.0 110.484 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.27 -45.97 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.0 94.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.196 0.598 . . . . 0.0 110.355 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.09 -35.65 78.52 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.682 0.393 . . . . 0.0 111.472 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -61.02 -48.28 82.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.322 0.51 . . . . 0.0 110.493 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.36 -42.05 98.07 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -62.9 -46.06 89.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.203 1.001 . . . . 0.0 110.87 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -57.35 -46.13 83.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.593 0.633 . . . . 0.0 110.128 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.21 -32.07 73.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.49 0.586 . . . . 0.0 110.481 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 C-N-CA 123.346 0.658 . . . . 0.0 111.629 172.368 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -126.91 -6.58 6.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.747 1.219 . . . . 0.0 111.379 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.93 148.58 51.81 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.777 1.231 . . . . 0.0 108.87 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -54.8 -33.19 61.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.88 -42.29 90.5 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.688 1.131 . . . . 0.0 109.696 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -66.75 -38.44 86.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.131 0.572 . . . . 0.0 109.615 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -70.68 -29.65 66.02 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.643 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.94 94.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.018 0.826 . . . . 0.0 109.342 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.39 -39.3 85.58 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.707 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.0 -52.44 46.78 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 119.445 1.02 . . . . 0.0 111.179 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.27 -53.58 48.76 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.412 0.685 . . . . 0.0 111.206 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -55.85 -48.08 76.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.18 0.592 . . . . 0.0 111.047 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.68 -51.76 67.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.35 0.523 . . . . 0.0 110.053 -173.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -36.39 71.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.565 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.29 -51.7 62.24 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.722 0.692 . . . . 0.0 109.812 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.32 -39.78 84.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.633 0.651 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.3 -25.41 67.61 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -94.46 -35.61 12.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.727 0.811 . . . . 0.0 111.955 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.5 121.19 10.9 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.918 0.781 . . . . 0.0 108.919 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.51 48.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.933 1.293 . . . . 0.0 109.447 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -63.99 155.44 78.19 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 0.0 111.568 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.98 153.72 91.04 Favored 'Cis proline' 0 CA--C 1.538 0.68 0 CA-C-N 119.325 0.795 . . . . 0.0 111.185 -9.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -143.44 -171.69 3.55 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.086 1.354 . . . . 0.0 108.663 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ptm -129.81 167.04 18.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.546 1.066 . . . . 0.0 111.798 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.79 -176.43 37.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-O 122.182 0.879 . . . . 0.0 111.706 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -118.44 120.65 38.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.4 ' CZ2' ' HE2' ' A' ' 50' ' ' LYS . 4.4 t90 -77.43 108.99 10.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -82.14 48.49 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.16 1.784 . . . . 0.0 108.539 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HE2' ' CZ2' ' A' ' 48' ' ' TRP . 40.2 ttmt . . . . . 0 N--CA 1.463 0.212 0 C-N-CA 124.138 0.975 . . . . 0.0 110.496 -168.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.73 107.1 9.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -111.52 120.62 42.75 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -71.02 132.97 45.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.75 155.44 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.261 0.624 . . . . 0.0 111.379 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -107.91 115.75 30.71 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.36 114.14 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.1 mt -79.98 -28.24 39.54 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.249 0.62 . . . . 0.0 112.211 -169.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.37 177.7 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.2 mtp -64.4 149.58 48.09 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.673 . . . . 0.0 110.358 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 168.97 9.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.701 0.801 . . . . 0.0 109.311 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -47.99 141.53 16.99 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 170.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.88 -28.98 64.66 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.94 -31.25 70.79 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.396 1.078 . . . . 0.0 112.478 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.08 -32.02 21.61 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.887 -0.508 . . . . 0.0 110.119 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.29 18.64 0.2 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.61 -13.71 61.85 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.203 1.401 . . . . 0.0 112.434 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.47 -23.54 0.98 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.98 152.2 32.16 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -78.62 81.25 4.95 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -75.99 150.35 37.44 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.891 0.476 . . . . 0.0 110.221 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.54 142.06 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.306 1.042 . . . . 0.0 108.988 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.51 144.29 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -150.57 139.7 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -169.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.76 135.24 50.3 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -84.82 71.18 10.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.975 0.91 . . . . 0.0 109.921 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.6 pt -60.38 -9.78 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.97 -15.3 49.26 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 118.5 -1.166 . . . . 0.0 112.917 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -17.29 0.22 Allowed Glycine 0 CA--C 1.529 0.936 0 CA-C-N 119.254 1.527 . . . . 0.0 115.935 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -137.64 -44.53 0.54 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.596 1.698 . . . . 0.0 110.97 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.06 -26.74 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.384 3.074 . . . . 0.0 115.495 -171.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.52 7.33 22.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.81 1.644 . . . . 0.0 111.811 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -134.73 162.07 33.38 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.934 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.87 148.37 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.831 1.653 . . . . 0.0 109.848 -168.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -138.63 -170.44 2.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.689 2.395 . . . . 0.0 108.284 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.5 m -123.38 146.87 47.63 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.71 159.69 40.84 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.649 1.179 . . . . 0.0 110.042 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -81.19 127.25 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.88 -31.98 69.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.877 1.217 . . . . 0.0 109.992 171.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -51.93 -16.13 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.362 2.665 . . . . 0.0 114.517 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -124.21 13.85 8.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 111.556 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.08 156.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 125.66 1.584 . . . . 0.0 109.349 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.0 119.23 28.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 140.59 38.23 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.9 mt -130.87 144.11 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 124.81 1.244 . . . . 0.0 108.426 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.7 37.9 21.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.567 1.547 . . . . 0.0 113.27 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -111.81 168.92 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.72 152.0 45.27 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.994 0.918 . . . . 0.0 110.446 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.7 -42.43 75.23 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.194 0.998 . . . . 0.0 112.023 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -73.26 -28.89 62.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.207 0.912 . . . . 0.0 111.008 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 93.2 m -70.24 -50.55 38.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -44.78 90.58 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.07 -39.6 94.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.392 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.52 97.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.691 1.132 . . . . 0.0 110.602 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.37 -45.78 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.22 90.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.068 0.547 . . . . 0.0 110.069 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.55 -37.33 82.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.126 0.571 . . . . 0.0 111.882 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -59.43 -46.66 88.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.722 0.692 . . . . 0.0 110.266 170.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.07 -40.78 97.02 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.14 -0.35 . . . . 0.0 110.256 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.61 -43.36 97.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.478 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -60.1 -41.68 93.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.275 0.943 . . . . 0.0 110.836 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.64 -43.36 93.88 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.763 1.225 . . . . 0.0 112.555 177.925 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.88 5.0 2.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.712 0.805 . . . . 0.0 112.372 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.79 148.12 48.61 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.972 1.309 . . . . 0.0 108.023 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.52 -36.36 55.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.54 -43.09 73.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.435 1.016 . . . . 0.0 109.429 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -68.04 -38.93 83.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.38 0.672 . . . . 0.0 109.582 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.43 -29.33 64.76 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.795 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.2 91.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.969 0.804 . . . . 0.0 109.626 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mmt -67.18 -38.01 84.66 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.593 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.74 46.83 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 119.226 0.921 . . . . 0.0 111.295 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -53.34 -53.54 49.54 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.454 0.702 . . . . 0.0 110.972 171.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.141 0.577 . . . . 0.0 111.223 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.83 -50.88 64.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.49 0.586 . . . . 0.0 110.387 -171.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.18 76.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.182 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.23 -51.9 64.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.427 0.558 . . . . 0.0 109.896 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.24 -40.1 84.87 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.534 0.606 . . . . 0.0 111.016 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.41 -25.18 67.43 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -94.03 -36.55 12.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.89 0.876 . . . . 0.0 111.908 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.66 120.6 9.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.792 . . . . 0.0 109.105 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.92 49.22 1.33 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.918 1.287 . . . . 0.0 109.242 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -63.22 155.43 73.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 124.215 1.006 . . . . 0.0 111.423 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.76 156.14 92.92 Favored 'Cis proline' 0 CA--C 1.538 0.701 0 CA-C-N 119.384 0.816 . . . . 0.0 111.481 -9.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -145.24 -170.11 3.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.049 1.34 . . . . 0.0 109.106 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ptm -133.65 167.88 19.69 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.24 0.927 . . . . 0.0 111.601 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.17 -178.32 38.86 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 121.904 0.724 . . . . 0.0 112.349 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.2 123.54 49.14 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 169.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -76.22 102.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -77.55 52.56 0.99 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.846 1.659 . . . . 0.0 109.453 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt . . . . . 0 CA--C 1.523 -0.087 0 C-N-CA 123.63 0.772 . . . . 0.0 110.627 -169.407 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -131.05 115.91 17.07 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -169.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -129.42 126.48 38.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -71.94 134.24 45.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.03 155.63 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.328 0.651 . . . . 0.0 111.096 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -108.51 135.77 49.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.18 115.09 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -169.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.66 -26.2 32.36 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.149 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.99 -178.79 31.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -63.46 149.7 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.644 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.13 169.65 9.5 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.52 139.39 17.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.55 2.167 . . . . 0.0 112.0 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.16 -28.29 64.6 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.196 0.599 . . . . 0.0 111.196 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.79 -32.87 69.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.752 1.221 . . . . 0.0 112.424 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.12 -30.39 21.12 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.903 0.481 . . . . 0.0 110.236 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.33 20.67 0.39 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.155 0.982 . . . . 0.0 113.22 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -8.62 55.83 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.526 1.531 . . . . 0.0 113.348 -173.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -149.44 -21.56 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.79 143.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -173.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.97 128.6 33.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.685 0.675 . . . . 0.0 109.434 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -125.78 153.09 44.53 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.362 1.065 . . . . 0.0 109.35 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.36 144.86 32.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 124.227 1.011 . . . . 0.0 109.398 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.61 138.71 43.14 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 169.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.48 129.07 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -169.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.05 132.13 43.86 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -88.76 71.57 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.36 0.6 . . . . 0.0 110.69 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 pt -60.84 -5.7 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.24 -10.21 49.05 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.765 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.57 -16.02 0.08 OUTLIER Glycine 0 CA--C 1.532 1.11 0 CA-C-N 119.532 1.666 . . . . 0.0 116.252 -170.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -138.34 -38.97 0.53 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.023 1.912 . . . . 0.0 111.631 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.01 -24.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.25 3.02 . . . . 0.0 115.968 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -120.18 12.23 11.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.95 1.7 . . . . 0.0 111.165 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -138.03 161.24 37.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.457 1.103 . . . . 0.0 110.628 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.75 149.67 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.572 1.549 . . . . 0.0 110.842 -168.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -142.09 -167.22 2.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.94 2.496 . . . . 0.0 108.047 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -123.15 147.69 46.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.82 155.57 48.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.447 1.099 . . . . 0.0 109.656 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -74.8 125.65 29.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.76 -2.311 . . . . 0.0 104.76 171.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.01 -35.08 74.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.209 0.913 . . . . 0.0 109.403 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -52.24 -11.19 0.16 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.837 3.255 . . . . 0.0 114.52 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -128.14 13.05 6.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.438 1.095 . . . . 0.0 112.079 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.32 157.41 22.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.95 1.7 . . . . 0.0 108.901 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -125.06 135.9 53.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.71 142.54 27.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.5 mt -129.82 143.23 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.998 1.319 . . . . 0.0 108.246 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.51 36.71 21.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.523 1.529 . . . . 0.0 113.162 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 HG21 ' A' ' 109' ' ' THR . 4.4 p -110.51 169.96 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.991 0.916 . . . . 0.0 110.421 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.39 150.94 47.46 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.453 0.701 . . . . 0.0 110.286 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.13 -41.93 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.086 0.954 . . . . 0.0 111.859 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -73.41 -28.29 61.92 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.247 0.931 . . . . 0.0 111.074 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.483 HG21 HG21 ' A' ' 105' ' ' VAL . 94.2 m -70.17 -50.23 42.36 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.51 -45.63 88.39 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.21 -39.81 95.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.406 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.3 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.591 1.087 . . . . 0.0 110.536 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.26 -46.55 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.94 93.02 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.026 0.531 . . . . 0.0 110.409 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.12 -37.32 85.44 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.541 0.736 . . . . 0.0 111.539 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -62.26 -46.58 88.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.695 0.68 . . . . 0.0 110.669 171.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.65 -42.41 99.58 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.999 -0.438 . . . . 0.0 110.124 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -62.46 -48.73 78.35 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.244 0.475 . . . . 0.0 109.848 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -52.58 -45.18 66.38 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.352 0.661 . . . . 0.0 110.948 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -43.92 93.97 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.661 0 C-N-CA 123.161 0.584 . . . . 0.0 112.459 -172.39 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.65 6.93 2.51 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.995 0.918 . . . . 0.0 112.11 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -136.03 147.58 47.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.119 1.368 . . . . 0.0 107.911 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -33.5 46.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.99 -44.12 70.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.527 1.058 . . . . 0.0 109.248 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -69.37 -38.26 77.97 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.163 0.585 . . . . 0.0 109.693 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.5 -28.95 64.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.509 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.88 95.46 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.183 0.901 . . . . 0.0 109.364 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -67.3 -39.93 86.0 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.804 0.729 . . . . 0.0 111.844 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.4 50.58 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -53.69 -53.13 56.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.435 0.694 . . . . 0.0 110.671 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.99 -51.43 67.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.592 0.757 . . . . 0.0 111.292 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -70.64 -41.49 72.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.904 -169.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.89 1.223 . . . . 0.0 110.372 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.72 -53.95 43.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.467 0.576 . . . . 0.0 109.569 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.25 -40.44 85.98 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.695 0.68 . . . . 0.0 111.207 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.53 -27.19 68.79 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -86.75 -38.26 17.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.651 0.78 . . . . 0.0 111.173 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.4 mt -56.96 121.73 10.64 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.52 0.728 . . . . 0.0 109.852 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.67 52.11 0.97 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.587 1.955 . . . . 0.0 108.702 170.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -69.67 153.31 95.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 121.015 -1.053 . . . . 0.0 110.913 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.47 152.83 94.44 Favored 'Cis proline' 0 CA--C 1.538 0.723 0 CA-C-N 119.34 0.8 . . . . 0.0 110.711 -10.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.88 -170.78 3.1 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.839 1.256 . . . . 0.0 108.627 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 ptm -131.73 166.02 22.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 119.508 1.049 . . . . 0.0 111.594 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.0 -178.01 37.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 121.872 0.707 . . . . 0.0 112.346 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -117.73 121.09 39.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -78.29 107.73 11.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -81.11 53.31 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.603 1.561 . . . . 0.0 108.473 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 N--CA 1.461 0.1 0 C-N-CA 123.608 0.763 . . . . 0.0 109.476 -169.34 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -126.91 89.36 2.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -169.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -94.25 118.42 31.55 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 m -69.68 133.49 47.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.45 153.94 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 111.813 -171.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -104.54 133.15 49.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -109.6 111.37 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.6 -27.39 55.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.065 0.546 . . . . 0.0 111.768 -169.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.41 179.37 29.64 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -173.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.0 mtp -64.0 151.68 42.19 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.372 -0.487 . . . . 0.0 110.393 170.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 173.91 2.65 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.607 0.763 . . . . 0.0 109.15 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.32 144.19 31.59 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.133 1.889 . . . . 0.0 111.724 171.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -29.71 64.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.066 0.546 . . . . 0.0 111.062 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.67 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.84 0.856 . . . . 0.0 112.41 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -75.81 -42.58 49.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.73 24.68 0.37 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 114.297 -169.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -8.65 50.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.91 1.284 . . . . 0.0 111.984 173.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -138.57 -29.92 0.78 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.067 0.947 . . . . 0.0 112.963 -169.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -154.72 151.2 28.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.6 mmt -80.18 82.73 6.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -78.09 151.91 33.16 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.637 -0.665 . . . . 0.0 110.603 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -134.9 144.36 34.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.629 1.172 . . . . 0.0 109.042 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.03 139.34 40.02 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.6 p -145.36 139.26 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -169.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.25 137.55 52.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.624 1.17 . . . . 0.0 108.815 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -86.32 68.78 10.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.503 1.121 . . . . 0.0 110.626 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 pt -59.09 -16.84 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.696 -0.627 . . . . 0.0 112.412 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.72 -5.0 88.57 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.895 1.236 . . . . 0.0 113.133 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.42 -90.04 0.07 OUTLIER Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.459 1.63 . . . . 0.0 111.525 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.3 -38.51 77.21 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.051 0.926 . . . . 0.0 112.11 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 59.7 -24.51 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 130.357 3.463 . . . . 0.0 116.353 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.14 14.27 9.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.236 1.814 . . . . 0.0 110.806 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -134.9 161.32 35.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.851 1.26 . . . . 0.0 110.08 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.51 151.25 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.776 1.23 . . . . 0.0 110.522 -168.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.97 -169.42 3.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.858 2.463 . . . . 0.0 108.264 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 m -122.79 147.0 47.03 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 160.91 37.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.662 1.185 . . . . 0.0 109.865 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.48 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.82 126.68 31.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 171.193 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.39 -32.36 68.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.41 1.005 . . . . 0.0 109.095 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -52.79 -13.93 0.48 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.94 2.896 . . . . 0.0 114.331 172.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -127.34 12.83 7.07 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.619 1.168 . . . . 0.0 112.024 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mt -120.09 157.77 22.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 126.209 1.804 . . . . 0.0 108.822 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -124.78 134.91 52.61 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.27 141.88 30.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.12 140.39 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.854 1.262 . . . . 0.0 108.159 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 53.25 35.34 19.81 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.67 1.588 . . . . 0.0 113.474 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG21 HG21 ' A' ' 109' ' ' THR . 3.4 p -105.67 168.08 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.79 0.836 . . . . 0.0 110.392 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 156.76 34.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.512 0.725 . . . . 0.0 110.779 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.6 -40.78 84.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.39 0.676 . . . . 0.0 112.539 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.61 -40.79 76.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.274 0.943 . . . . 0.0 110.486 -176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.501 HG21 HG21 ' A' ' 105' ' ' VAL . 61.6 m -60.76 -51.03 71.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.5 1.12 . . . . 0.0 109.963 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.17 -45.14 94.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.262 0.483 . . . . 0.0 109.781 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.75 -37.39 87.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.717 0.69 . . . . 0.0 111.548 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.87 96.0 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.186 0.903 . . . . 0.0 110.117 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.68 -47.24 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.69 0.796 . . . . 0.0 109.142 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.37 92.22 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.419 0.687 . . . . 0.0 110.217 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.79 -32.65 72.53 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 118.13 -0.938 . . . . 0.0 112.039 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -62.45 -46.53 88.1 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.031 1.287 . . . . 0.0 110.297 170.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.8 -46.16 89.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.44 -44.96 95.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.132 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -55.52 -40.89 72.4 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.955 1.252 . . . . 0.0 110.935 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.46 -39.01 86.02 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.162 176.357 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.115 0.483 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.04 -30.7 0.79 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.616 1.166 . . . . 0.0 111.187 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.27 155.37 42.02 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.246 1.418 . . . . 0.0 108.813 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -28.35 55.25 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.736 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.8 -41.81 86.99 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 120.091 1.314 . . . . 0.0 108.971 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.44 -37.76 80.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.307 0.643 . . . . 0.0 109.944 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.06 -39.15 89.87 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.551 -0.718 . . . . 0.0 110.768 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.6 94.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.141 -0.456 . . . . 0.0 109.783 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -63.35 -42.11 98.89 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.627 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.08 -52.22 50.6 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.299 0.954 . . . . 0.0 111.434 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -52.67 -54.73 29.41 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.523 0.729 . . . . 0.0 110.599 171.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -56.28 -46.06 79.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.41 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -61.98 -52.71 62.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.908 0.776 . . . . 0.0 110.005 -173.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -37.39 74.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.206 -177.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.02 -51.7 55.95 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.24 0.616 . . . . 0.0 110.144 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.4 -39.13 89.59 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.424 0.69 . . . . 0.0 110.924 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.95 -27.63 68.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.5 m -83.06 -43.6 16.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.402 0.681 . . . . 0.0 110.87 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.97 119.61 5.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.587 1.155 . . . . 0.0 110.104 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.49 41.79 0.41 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.75 0.82 . . . . 0.0 111.268 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -58.4 154.21 34.17 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.032 0.933 . . . . 0.0 112.012 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -70.0 157.94 92.22 Favored 'Cis proline' 0 CA--C 1.537 0.663 0 CA-C-N 119.562 0.879 . . . . 0.0 111.85 -6.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -147.79 -165.92 2.39 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.579 1.552 . . . . 0.0 108.132 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.2 ptm -134.42 170.46 15.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 119.302 0.956 . . . . 0.0 112.31 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.15 -177.63 38.94 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-O 122.134 0.852 . . . . 0.0 111.708 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -117.15 118.64 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.32 109.2 11.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -81.17 47.89 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.75 1.62 . . . . 0.0 108.472 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt . . . . . 0 CA--C 1.52 -0.199 0 C-N-CA 123.896 0.878 . . . . 0.0 111.475 -168.799 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -82.32 94.79 7.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -97.93 118.09 33.71 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -69.11 132.39 46.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.81 146.88 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.253 0.621 . . . . 0.0 110.916 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.74 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 103.583 -2.747 . . . . 0.0 103.583 168.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.9 107.74 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.19 -30.59 63.64 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.26 0.624 . . . . 0.0 111.009 -169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 -178.07 33.2 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.97 154.36 34.32 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.347 0.594 . . . . 0.0 110.197 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 174.32 2.27 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.329 1.452 . . . . 0.0 111.566 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.61 153.35 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.62 2.88 . . . . 0.0 113.715 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.47 -39.82 61.6 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.663 1.185 . . . . 0.0 110.74 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.49 -31.85 67.59 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.039 0.936 . . . . 0.0 111.816 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.48 -44.52 57.77 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.5 m -70.82 1.14 5.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.874 0.87 . . . . 0.0 113.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -83.65 -9.04 59.15 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.055 1.742 . . . . 0.0 111.983 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.34 -24.96 0.95 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -157.47 156.79 32.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.205 1.402 . . . . 0.0 107.424 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -82.98 121.8 27.47 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 119.459 1.027 . . . . 0.0 109.185 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.08 155.16 46.63 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.2 1.0 . . . . 0.0 109.397 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.41 144.82 31.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.476 1.11 . . . . 0.0 108.83 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.24 137.96 35.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 m -142.54 138.81 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.405 0.682 . . . . 0.0 110.481 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.02 135.5 48.47 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.45 65.89 6.78 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 124.37 1.068 . . . . 0.0 110.477 -173.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 pt -58.77 -14.29 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.378 -0.826 . . . . 0.0 112.801 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.77 64.47 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.234 -1.314 . . . . 0.0 113.202 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.56 -25.78 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.555 1.677 . . . . 0.0 115.904 -169.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.45 -40.2 0.46 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.626 1.713 . . . . 0.0 111.607 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.4 t70 60.21 -32.89 0.07 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.683 3.193 . . . . 0.0 115.402 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.83 2.39 56.21 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.518 1.527 . . . . 0.0 113.203 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -138.2 163.43 31.75 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.238 -0.914 . . . . 0.0 110.407 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.79 151.35 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 125.553 1.541 . . . . 0.0 109.988 -169.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -144.25 -173.53 4.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.642 2.377 . . . . 0.0 107.6 -172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.9 m -123.47 147.82 46.8 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.89 150.17 49.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.976 1.311 . . . . 0.0 109.133 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 132.62 43.84 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.24 -30.16 69.23 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 m -53.57 -20.82 5.54 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.804 2.041 . . . . 0.0 114.055 173.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -114.52 14.72 17.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.792 0.724 . . . . 0.0 111.738 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mt -121.65 153.99 25.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 124.81 1.244 . . . . 0.0 109.781 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.06 119.12 27.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 139.12 38.53 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.58 147.07 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.762 1.225 . . . . 0.0 108.114 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.96 39.98 24.14 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.332 1.453 . . . . 0.0 112.779 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.473 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -118.46 166.44 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.232 1.013 . . . . 0.0 109.685 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.64 151.22 47.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 122.957 0.503 . . . . 0.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.67 -40.4 69.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.144 0.978 . . . . 0.0 111.871 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.36 -30.05 63.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.028 0.831 . . . . 0.0 111.24 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 105' ' ' VAL . 65.7 m -70.14 -48.87 55.59 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -46.47 86.92 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.33 -35.96 82.58 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.505 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.36 87.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.571 1.078 . . . . 0.0 110.489 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.94 -42.78 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.23 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.502 0.592 . . . . 0.0 110.542 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.27 -37.0 77.68 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.649 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -60.87 -45.09 95.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.737 0.699 . . . . 0.0 109.955 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.27 -41.27 98.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.389 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.45 -47.47 83.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.04 0.836 . . . . 0.0 110.44 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -56.73 -44.82 82.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.439 0.563 . . . . 0.0 111.17 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.74 -42.55 77.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.035 0.934 . . . . 0.0 111.672 175.558 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.63 4.59 2.85 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -170.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.14 147.08 52.57 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.086 1.354 . . . . 0.0 107.815 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.81 31.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -176.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.86 -45.73 56.71 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 120.057 1.299 . . . . 0.0 109.435 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.92 -37.4 85.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.018 0.527 . . . . 0.0 109.89 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -72.51 -32.24 65.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.281 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.086 0.857 . . . . 0.0 109.264 170.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.3 mmt -62.91 -43.4 98.9 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.504 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.27 -52.15 51.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 119.657 1.117 . . . . 0.0 111.494 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -56.87 -48.27 78.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.019 0.528 . . . . 0.0 110.949 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.67 -46.42 84.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.046 0.538 . . . . 0.0 111.097 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.32 -52.77 63.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 118.597 0.635 . . . . 0.0 110.249 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -37.72 77.43 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.006 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.08 -51.0 62.14 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.659 0.663 . . . . 0.0 110.037 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.02 -37.35 82.26 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.412 0.551 . . . . 0.0 110.933 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.41 -25.18 65.81 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 m -94.41 -33.36 13.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.703 0.801 . . . . 0.0 111.538 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.71 117.77 5.77 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.4 53.21 2.43 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.715 0.806 . . . . 0.0 109.023 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -60.73 157.64 37.33 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.784 1.234 . . . . 0.0 111.83 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.19 155.24 91.77 Favored 'Cis proline' 0 C--N 1.349 0.602 0 CA-C-N 119.341 0.8 . . . . 0.0 111.501 -8.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.91 -168.74 2.85 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.111 1.364 . . . . 0.0 108.615 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -136.09 168.89 18.53 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.428 1.013 . . . . 0.0 111.943 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.68 -177.32 39.01 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-O 122.127 0.849 . . . . 0.0 111.484 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -116.48 121.47 41.93 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -75.59 107.27 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 169.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.51 52.86 2.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.759 1.623 . . . . 0.0 107.586 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 CA--C 1.52 -0.191 0 C-N-CA 125.367 1.467 . . . . 0.0 109.932 -168.865 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.12 106.1 8.38 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -113.0 119.09 36.7 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -69.06 132.01 45.94 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.09 145.99 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.17 0.588 . . . . 0.0 110.822 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -96.8 130.7 44.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 168.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.25 114.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.96 -29.12 35.41 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.013 0.525 . . . . 0.0 111.68 -169.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.38 178.34 30.42 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.9 mtp -67.77 152.05 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.288 -0.537 . . . . 0.0 110.799 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 168.75 20.13 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 124.483 1.113 . . . . 0.0 111.557 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.08 156.67 7.16 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.682 2.922 . . . . 0.0 114.683 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -46.1 -37.3 6.69 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.585 1.954 . . . . 0.0 111.923 170.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.52 -19.54 57.36 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.205 1.002 . . . . 0.0 113.427 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -122.38 -34.09 3.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.171 0.988 . . . . 0.0 110.465 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.63 -1.48 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 175.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.36 -9.8 58.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.423 1.489 . . . . 0.0 112.354 171.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.32 -28.2 1.51 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.774 1.17 . . . . 0.0 113.615 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -154.32 154.99 34.3 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.574 1.079 . . . . 0.0 109.66 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -80.29 78.16 6.99 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.956 0.902 . . . . 0.0 108.905 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -82.39 153.68 25.6 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.309 0.643 . . . . 0.0 110.163 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.01 145.96 30.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 124.898 1.279 . . . . 0.0 108.695 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.69 140.02 34.58 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.72 143.88 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.385 0.674 . . . . 0.0 110.394 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.37 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -81.72 65.81 7.02 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 111.104 -171.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 pt -58.69 -17.76 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 121.546 -0.721 . . . . 0.0 112.515 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.37 -4.18 88.12 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.908 1.242 . . . . 0.0 113.046 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.99 -96.69 0.13 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 119.185 1.493 . . . . 0.0 111.14 -174.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -60.93 -34.98 75.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 117.632 0.716 . . . . 0.0 112.611 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.23 -26.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.362 3.465 . . . . 0.0 116.661 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.24 10.77 16.05 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.815 1.646 . . . . 0.0 111.385 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.54 164.48 28.62 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.321 1.048 . . . . 0.0 109.834 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.39 148.14 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.409 1.484 . . . . 0.0 109.648 -169.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -143.9 -170.64 3.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.589 2.356 . . . . 0.0 107.849 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.1 m -125.84 147.48 49.43 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.09 158.99 43.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.08 1.352 . . . . 0.0 109.706 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -80.71 126.27 31.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.65 -34.49 71.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.506 1.048 . . . . 0.0 109.752 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -52.63 -16.99 1.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.03 2.532 . . . . 0.0 114.346 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.79 12.95 9.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.488 1.115 . . . . 0.0 111.153 -173.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.52 154.18 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 125.677 1.591 . . . . 0.0 109.34 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.32 118.25 30.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.48 139.55 38.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.24 139.8 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.737 1.215 . . . . 0.0 107.909 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.9 t70 58.23 21.11 7.79 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.711 1.604 . . . . 0.0 113.79 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -75.67 163.73 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.269 1.028 . . . . 0.0 111.962 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.45 157.31 38.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.485 169.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.69 -43.91 80.98 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 112.059 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.38 -29.03 62.35 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.27 0.941 . . . . 0.0 110.766 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.9 m -68.07 -50.86 52.48 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.92 -46.65 84.69 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.593 0.633 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.4 -37.05 85.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.065 0.546 . . . . 0.0 111.104 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.0 86.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.025 0.83 . . . . 0.0 110.493 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.61 -46.57 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.34 91.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.306 0.643 . . . . 0.0 110.444 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.86 -37.32 84.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.771 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -61.56 -46.13 91.2 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.446 0.567 . . . . 0.0 110.502 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -44.1 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.043 0.383 . . . . 0.0 109.988 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.58 -42.18 98.33 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.15 0.58 . . . . 0.0 110.789 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.84 -45.76 91.39 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.947 0.794 . . . . 0.0 110.578 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.29 -37.97 86.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.842 0.747 . . . . 0.0 109.783 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.896 . . . . 0.0 112.039 175.302 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.059 0.457 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -143.47 -29.49 0.52 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.1 0.96 . . . . 0.0 111.944 169.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.09 149.09 26.45 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.258 0.936 . . . . 0.0 109.935 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -52.04 -38.64 57.71 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.64 -40.98 80.02 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.201 0.91 . . . . 0.0 109.273 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.984 0.514 . . . . 0.0 109.831 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -64.8 -41.42 95.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.081 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.64 98.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.329 0.513 . . . . 0.0 109.731 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mmt -63.93 -41.47 97.63 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.926 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.9 -51.83 55.87 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.387 0.994 . . . . 0.0 111.217 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -54.26 -51.59 64.08 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.152 0.581 . . . . 0.0 110.677 172.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.75 -46.85 81.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.585 0.63 . . . . 0.0 111.588 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -61.46 -51.99 66.39 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.75 0.704 . . . . 0.0 110.028 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.27 -37.86 74.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.224 -0.99 . . . . 0.0 110.136 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.81 -52.02 62.11 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.748 0.704 . . . . 0.0 110.019 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.08 -38.06 81.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.309 0.644 . . . . 0.0 111.079 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.91 -25.49 64.61 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -93.51 -37.25 12.02 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.864 0.865 . . . . 0.0 111.491 -174.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.36 116.27 3.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -81.82 51.8 1.8 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.647 0.737 . . . . 0.0 109.048 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -62.43 156.7 60.57 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 124.516 1.126 . . . . 0.0 111.587 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.91 154.62 90.99 Favored 'Cis proline' 0 CA--C 1.537 0.649 0 CA-C-N 119.322 0.793 . . . . 0.0 111.31 -9.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -144.24 -170.46 3.36 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.013 1.325 . . . . 0.0 108.427 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptm -131.37 167.15 19.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 119.387 0.994 . . . . 0.0 112.041 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.55 -175.34 36.7 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-O 122.198 0.888 . . . . 0.0 111.446 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -116.35 119.65 36.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 169.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.18 110.09 11.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -81.64 52.87 1.99 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.407 1.483 . . . . 0.0 107.633 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 CA--C 1.519 -0.221 0 C-N-CA 123.217 0.607 . . . . 0.0 109.755 -169.016 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.64 105.53 12.86 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -107.03 124.8 50.16 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -70.23 132.1 45.22 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.0 152.55 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 121.122 0.487 . . . . 0.0 111.346 -172.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -100.54 132.67 45.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -105.43 112.15 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.55 -30.43 46.88 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 111.866 -169.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.58 -178.97 31.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.991 -2.044 . . . . 0.0 107.991 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.9 mmm -64.68 153.2 40.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.413 0.625 . . . . 0.0 110.645 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.11 173.48 2.62 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.448 1.499 . . . . 0.0 111.139 171.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.25 152.7 3.45 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.475 2.784 . . . . 0.0 113.734 170.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.49 -34.87 64.96 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.687 1.195 . . . . 0.0 111.39 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.48 -33.2 75.37 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.517 0.727 . . . . 0.0 111.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.99 -45.11 28.5 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.94 -2.94 13.91 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.96 -11.1 59.82 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.392 1.477 . . . . 0.0 112.366 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -24.14 1.68 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -157.68 155.65 30.35 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.407 1.003 . . . . 0.0 108.664 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.62 112.87 18.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -123.84 152.29 42.47 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 109.02 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.73 144.75 32.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.46 1.104 . . . . 0.0 109.291 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.59 140.23 42.53 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.8 141.29 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.15 137.53 53.54 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.329 1.052 . . . . 0.0 108.753 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.72 64.95 8.78 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 111.17 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.84 -21.47 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.391 0.677 . . . . 0.0 112.745 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.68 -3.69 88.02 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.238 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -92.64 0.1 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 119.202 1.501 . . . . 0.0 111.063 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -59.39 -39.17 82.49 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.956 0.878 . . . . 0.0 112.122 -173.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t70 58.9 -26.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 130.32 3.448 . . . . 0.0 116.397 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -115.17 9.34 15.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.728 1.611 . . . . 0.0 111.428 -171.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -135.33 162.86 31.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.844 0.858 . . . . 0.0 110.789 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.15 149.0 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 125.534 1.534 . . . . 0.0 108.656 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -140.99 -170.09 2.97 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.57 2.348 . . . . 0.0 108.239 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -123.04 146.5 47.61 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.39 152.46 51.92 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 124.599 1.16 . . . . 0.0 109.424 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 129.75 38.23 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 169.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.66 -30.22 68.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.164 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -50.17 -20.42 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.334 2.654 . . . . 0.0 114.543 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -119.16 13.33 12.87 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.598 0.759 . . . . 0.0 111.989 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.04 154.64 20.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 125.312 1.445 . . . . 0.0 109.394 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.92 118.39 25.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.71 37.58 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.7 mt -131.04 144.79 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.624 1.17 . . . . 0.0 108.63 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 51.66 39.83 26.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.454 1.502 . . . . 0.0 112.849 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -117.98 165.21 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.826 0.85 . . . . 0.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 152.84 44.78 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.918 0.887 . . . . 0.0 110.79 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.82 -40.39 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.966 1.307 . . . . 0.0 112.36 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.1 -34.63 66.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.666 1.121 . . . . 0.0 111.029 -176.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 105' ' ' VAL . 99.9 m -67.97 -49.61 60.69 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.17 -43.18 96.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.167 0.587 . . . . 0.0 110.086 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.88 -42.47 89.59 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.71 91.98 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.179 0.445 . . . . 0.0 110.07 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.95 -45.4 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.47 -47.69 83.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.668 0.787 . . . . 0.0 109.865 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.86 -22.85 59.6 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -64.3 -47.77 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.153 1.342 . . . . 0.0 109.282 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.21 -44.19 97.14 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -59.26 -53.86 53.41 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.234 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -48.82 -42.1 35.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.084 1.354 . . . . 0.0 112.353 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.8 -50.99 71.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.427 -176.635 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.76 -0.46 3.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.881 0.873 . . . . 0.0 112.189 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -138.93 151.81 47.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.896 1.278 . . . . 0.0 108.671 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -33.41 61.52 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.53 -42.14 75.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.489 1.04 . . . . 0.0 108.968 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.79 -36.41 80.4 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.735 -0.603 . . . . 0.0 110.065 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -64.58 -39.86 94.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.392 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.67 96.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.048 0.84 . . . . 0.0 109.887 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 mmt -64.98 -40.19 94.6 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.818 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.16 -50.56 66.36 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -53.85 -54.02 44.31 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 110.666 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.45 -47.22 82.4 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.157 0.583 . . . . 0.0 110.533 -176.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -58.41 -55.59 33.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.804 0.842 . . . . 0.0 110.366 -172.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -36.34 69.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.854 -0.739 . . . . 0.0 110.151 -176.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.44 -51.24 64.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.788 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.62 -38.06 83.5 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.914 0.779 . . . . 0.0 111.039 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.31 -24.25 66.51 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -95.32 -35.46 11.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.173 0.989 . . . . 0.0 111.822 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.93 121.17 10.51 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -81.33 48.76 1.19 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.996 1.318 . . . . 0.0 109.403 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -64.35 154.72 82.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 111.583 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.58 152.57 92.0 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.235 0.763 . . . . 0.0 111.009 -9.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.3 -171.62 3.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.11 1.364 . . . . 0.0 108.619 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptm -130.17 167.92 17.62 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.563 1.074 . . . . 0.0 111.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.97 -176.54 38.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-O 121.932 0.74 . . . . 0.0 111.711 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -118.45 119.71 35.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.01 109.28 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -80.04 52.51 1.54 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.11 1.364 . . . . 0.0 109.469 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt . . . . . 0 C--N 1.333 -0.113 0 C-N-CA 124.057 0.943 . . . . 0.0 109.903 -169.506 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.28 101.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -169.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -103.28 123.04 46.03 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -69.1 132.77 47.11 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.49 153.38 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 122.756 0.423 . . . . 0.0 110.996 -172.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.83 119.02 38.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -89.56 115.09 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.12 -28.01 29.75 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.2 178.22 32.03 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.778 -2.129 . . . . 0.0 107.778 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.2 mtp -65.59 151.88 45.42 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.998 -0.707 . . . . 0.0 110.704 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.29 171.54 4.77 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.023 1.329 . . . . 0.0 111.087 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.74 152.1 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.354 2.703 . . . . 0.0 113.624 170.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.93 -35.28 64.04 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.095 1.358 . . . . 0.0 111.441 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.96 -29.18 64.0 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.968 0.907 . . . . 0.0 112.225 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.96 -50.23 36.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 171.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.1 m -71.87 7.15 1.67 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.428 1.491 . . . . 0.0 114.478 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -13.24 61.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.044 1.737 . . . . 0.0 111.945 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -146.11 -23.95 0.45 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -169.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.41 152.31 25.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -84.55 120.69 26.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -127.09 154.56 44.56 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.328 1.051 . . . . 0.0 108.999 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -136.76 144.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.828 0.851 . . . . 0.0 109.425 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.87 142.51 44.09 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.92 141.35 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -169.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.16 136.11 53.46 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -86.34 65.73 9.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.006 0.923 . . . . 0.0 111.095 -171.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.3 pt -57.06 -21.58 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.05 -4.54 88.35 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.886 1.231 . . . . 0.0 113.098 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.76 -93.1 0.11 Allowed Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.149 1.474 . . . . 0.0 111.079 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -60.73 -37.32 81.35 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.81 0.805 . . . . 0.0 112.215 -172.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 59.52 -26.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.392 3.477 . . . . 0.0 116.603 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.29 9.31 15.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.703 1.601 . . . . 0.0 111.306 -172.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -135.82 163.59 29.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.85 147.19 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 126.01 1.724 . . . . 0.0 109.03 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -139.55 -168.35 2.46 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.358 2.263 . . . . 0.0 108.415 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.7 m -122.72 146.06 47.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 153.71 47.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 124.673 1.189 . . . . 0.0 109.712 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -73.39 128.17 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.74 -33.96 72.33 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.274 0.943 . . . . 0.0 109.961 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -54.04 -17.21 2.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 114.441 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.97 11.96 15.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.924 0.89 . . . . 0.0 111.708 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -120.33 153.92 23.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.567 1.547 . . . . 0.0 109.449 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.36 118.78 32.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 139.39 40.62 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.58 143.13 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.755 1.222 . . . . 0.0 108.366 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.58 36.02 19.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.641 1.576 . . . . 0.0 113.186 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.535 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -108.76 168.84 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.899 0.88 . . . . 0.0 110.59 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.15 151.71 46.36 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 110.417 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.47 -41.87 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.245 1.018 . . . . 0.0 111.906 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.65 -28.78 61.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.078 0.854 . . . . 0.0 111.086 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 105' ' ' VAL . 97.2 m -69.8 -50.6 41.42 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -45.6 88.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.14 -37.85 88.96 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.543 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.73 95.13 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.445 1.02 . . . . 0.0 110.377 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -68.01 -43.88 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.8 94.38 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.069 0.547 . . . . 0.0 110.359 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.02 -35.76 80.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.471 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -61.13 -46.48 90.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.967 0.803 . . . . 0.0 110.565 170.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.68 -45.61 92.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.061 -0.399 . . . . 0.0 109.971 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.05 -38.93 92.43 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.817 0.447 . . . . 0.0 111.0 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.92 -45.66 91.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 119.352 0.978 . . . . 0.0 110.596 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.43 -42.78 95.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.534 0.734 . . . . 0.0 111.72 174.432 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.94 -19.41 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.432 1.493 . . . . 0.0 110.565 171.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -115.28 153.26 31.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.412 1.085 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -46.25 -38.85 9.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.41 1.484 . . . . 0.0 112.813 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.06 -39.58 72.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.876 0.762 . . . . 0.0 109.38 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.09 -41.13 74.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -61.45 -40.51 94.74 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.055 173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.16 96.91 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.898 -0.573 . . . . 0.0 110.535 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.18 -43.17 92.53 Favored 'General case' 0 C--N 1.337 0.06 0 CA-C-N 118.822 0.737 . . . . 0.0 111.417 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.49 -54.12 36.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.211 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -52.42 -56.4 15.28 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.476 0.71 . . . . 0.0 110.43 172.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -53.99 -48.5 70.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.56 0.744 . . . . 0.0 111.523 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.06 -51.08 68.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.097 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -38.01 77.92 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.389 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.66 -53.75 30.62 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -172.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.76 -38.47 88.13 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.98 0.809 . . . . 0.0 111.532 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.28 -27.6 69.45 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -85.38 -32.18 22.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.856 0.863 . . . . 0.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.2 122.86 14.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.053 0.842 . . . . 0.0 109.1 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -81.31 47.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.937 1.295 . . . . 0.0 109.327 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -67.07 156.98 86.45 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.587 1.155 . . . . 0.0 112.061 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -64.98 155.34 76.52 Favored 'Cis proline' 0 C--N 1.351 0.678 0 CA-C-N 119.42 0.829 . . . . 0.0 111.558 -10.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.7 -169.36 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.964 1.305 . . . . 0.0 108.459 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptm -130.97 169.47 15.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 122.067 0.937 . . . . 0.0 111.692 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.44 -177.42 38.95 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.98 124.78 51.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 169.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.55 104.8 7.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 169.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -85.02 52.45 2.44 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.761 1.624 . . . . 0.0 108.495 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt . . . . . 0 CA--C 1.52 -0.178 0 C-N-CA 123.949 0.9 . . . . 0.0 109.401 -169.478 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.13 115.44 16.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -128.49 126.2 39.98 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.4 m -72.99 135.01 44.9 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.23 157.42 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.479 0.712 . . . . 0.0 111.104 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.98 118.13 35.63 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.29 119.72 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -86.64 -21.32 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -169.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 179.09 23.42 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 107.31 -2.316 . . . . 0.0 107.31 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -61.93 151.18 35.53 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 169.82 4.13 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.769 0.828 . . . . 0.0 109.855 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -50.51 152.58 8.74 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.396 2.064 . . . . 0.0 112.126 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.58 -28.82 65.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.639 0.376 . . . . 0.0 111.146 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.48 -34.17 73.65 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.712 0.805 . . . . 0.0 111.891 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.31 -43.14 17.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.941 -0.474 . . . . 0.0 110.027 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.3 m -77.31 14.63 0.9 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.64 -10.01 59.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.752 1.221 . . . . 0.0 112.446 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -134.0 -24.73 1.65 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.526 0.73 . . . . 0.0 112.941 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -160.59 161.65 32.61 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -80.54 117.98 21.73 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -125.83 152.87 44.9 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.325 1.05 . . . . 0.0 109.486 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.24 141.55 45.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.919 0.888 . . . . 0.0 109.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.73 141.65 39.18 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.42 130.53 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.86 133.73 41.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -89.81 70.38 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.912 0.485 . . . . 0.0 110.968 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.85 -13.86 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 -31.64 11.13 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.229 0.918 . . . . 0.0 112.113 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.86 -20.81 3.35 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.399 -1.223 . . . . 0.0 115.243 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -139.49 -41.94 0.45 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.612 1.706 . . . . 0.0 112.128 -175.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.49 -27.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.338 3.055 . . . . 0.0 115.399 -170.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -107.42 5.91 27.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 111.979 -172.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -138.25 162.81 33.35 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.679 0.791 . . . . 0.0 111.264 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.0 p -135.36 149.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.319 1.847 . . . . 0.0 110.115 -169.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -141.93 -172.23 3.52 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.262 2.225 . . . . 0.0 108.203 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -122.63 148.11 45.64 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 170.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 156.09 49.29 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.441 1.096 . . . . 0.0 110.047 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 132.2 44.14 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 173.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.49 -34.16 73.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.994 0.815 . . . . 0.0 110.035 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -56.96 -15.48 5.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.0 2.12 . . . . 0.0 114.335 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -118.72 13.78 13.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.296 1.038 . . . . 0.0 111.379 -169.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -124.69 155.02 32.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 125.705 1.602 . . . . 0.0 109.173 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -124.26 119.12 28.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.79 138.64 38.3 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.4 mt -131.37 147.14 32.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 108.426 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.79 40.31 24.24 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.538 1.535 . . . . 0.0 112.77 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 109' ' ' THR . 4.0 p -118.05 168.15 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 110.483 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.21 151.71 46.4 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.592 0.757 . . . . 0.0 110.358 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.85 -41.85 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.245 1.018 . . . . 0.0 111.802 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -73.62 -29.07 62.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.103 0.865 . . . . 0.0 111.169 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.557 HG21 HG21 ' A' ' 105' ' ' VAL . 97.6 m -69.48 -50.8 41.96 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -45.92 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.16 -37.01 85.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.682 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.7 97.82 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.891 1.223 . . . . 0.0 110.543 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.9 -44.33 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.5 85.54 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.181 0.593 . . . . 0.0 110.467 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.71 -37.74 85.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.892 0.477 . . . . 0.0 111.786 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -61.14 -46.49 90.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.578 0.627 . . . . 0.0 110.387 171.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.37 -43.09 99.64 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.567 0.347 . . . . 0.0 110.08 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.32 -47.28 84.96 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.457 0.703 . . . . 0.0 110.219 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.09 -45.89 75.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.948 0.795 . . . . 0.0 110.795 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.36 -44.31 95.18 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 123.938 0.895 . . . . 0.0 112.272 178.052 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.332 0 CA-C-O 121.255 0.55 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -141.53 -8.93 0.96 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.402 1.081 . . . . 0.0 112.492 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -143.67 156.46 44.55 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.125 1.37 . . . . 0.0 108.668 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -52.32 -37.87 57.0 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.91 -37.28 75.9 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.72 1.145 . . . . 0.0 109.857 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -70.07 -39.97 75.32 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.771 -0.58 . . . . 0.0 109.448 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -59.97 -42.73 94.77 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.863 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.64 92.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.307 0.503 . . . . 0.0 110.768 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -69.99 -37.86 75.83 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.934 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 -48.63 85.1 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -57.35 -52.56 64.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.592 0.757 . . . . 0.0 111.119 172.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.9 -46.89 78.24 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.886 0.474 . . . . 0.0 110.363 -176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -58.24 -56.71 18.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.037 0.935 . . . . 0.0 110.521 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.17 -37.16 75.1 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.135 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.57 -50.09 66.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.687 0.676 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.85 -39.2 84.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.646 0.657 . . . . 0.0 110.873 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.16 -22.72 65.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -97.52 -34.81 10.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.926 0.89 . . . . 0.0 111.623 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.5 117.38 4.81 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.48 51.68 1.71 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.761 0.824 . . . . 0.0 109.065 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -61.86 157.51 49.51 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 111.691 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.91 155.06 91.06 Favored 'Cis proline' 0 C--N 1.35 0.609 0 CA-C-N 119.279 0.778 . . . . 0.0 111.222 -9.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.15 -169.46 3.12 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.083 1.353 . . . . 0.0 108.206 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.79 165.82 24.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.643 1.11 . . . . 0.0 112.079 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.09 -179.96 37.93 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.292 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -115.56 123.58 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.18 106.1 8.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 169.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -82.61 50.42 1.66 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.259 1.824 . . . . 0.0 108.695 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 N--CA 1.463 0.225 0 C-N-CA 124.637 1.175 . . . . 0.0 109.894 -169.361 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.41 102.92 6.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -169.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -109.63 109.49 20.26 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.689 1.196 . . . . 0.0 108.794 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -64.45 133.09 51.78 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.73 145.35 25.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.354 0.662 . . . . 0.0 110.924 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.67 125.05 42.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -98.31 114.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -173.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.66 -26.98 34.28 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.515 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.7 -175.82 33.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mmm -64.23 153.36 38.26 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.245 0.545 . . . . 0.0 110.488 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.56 171.62 4.92 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.279 1.031 . . . . 0.0 109.986 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.12 150.14 10.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.764 2.309 . . . . 0.0 112.395 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.27 -27.26 65.65 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.124 0.57 . . . . 0.0 111.636 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.11 -33.82 76.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.47 0.708 . . . . 0.0 111.904 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -76.53 -43.77 37.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -75.49 8.18 3.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -170.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.7 -4.96 57.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.482 1.113 . . . . 0.0 113.03 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -142.94 -20.76 0.65 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -160.25 150.04 17.94 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -80.26 121.98 26.31 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.277 1.399 . . . . 0.0 110.193 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -123.74 151.91 42.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.396 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.22 146.89 28.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.228 1.011 . . . . 0.0 109.043 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.63 137.58 35.44 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.75 131.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.484 0.713 . . . . 0.0 110.074 -172.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.3 134.74 40.19 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -83.1 64.66 7.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.468 1.107 . . . . 0.0 110.611 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.0 pt -58.89 -18.0 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.491 -0.756 . . . . 0.0 112.383 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.47 1.81 88.49 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.247 1.403 . . . . 0.0 113.243 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.23 -92.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 CA-C-N 119.358 1.579 . . . . 0.0 111.475 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -59.7 -37.19 78.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.834 0.817 . . . . 0.0 112.339 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.02 -24.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 129.797 3.239 . . . . 0.0 115.748 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.22 11.46 12.32 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.248 1.819 . . . . 0.0 111.154 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -135.12 162.66 31.88 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.203 1.001 . . . . 0.0 110.342 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.46 150.19 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.711 1.604 . . . . 0.0 110.494 -168.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -141.12 -172.78 3.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.7 2.4 . . . . 0.0 108.12 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 m -120.41 148.43 43.79 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.34 48.4 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.367 1.067 . . . . 0.0 109.486 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 129.03 37.42 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 171.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.63 -30.62 69.98 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.003 0.365 . . . . 0.0 110.525 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -50.89 -24.89 3.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.084 2.154 . . . . 0.0 113.614 171.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -110.96 12.7 22.14 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.194 0.998 . . . . 0.0 111.525 -169.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.93 154.35 26.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 125.277 1.431 . . . . 0.0 109.534 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -125.41 118.47 25.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.36 139.63 42.52 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.28 139.52 51.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.546 1.138 . . . . 0.0 108.576 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 51.83 36.14 17.28 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.676 1.59 . . . . 0.0 113.084 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -106.21 165.58 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.633 0.773 . . . . 0.0 110.523 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 157.91 33.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 123.49 0.716 . . . . 0.0 110.904 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.67 -41.64 81.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.466 -176.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.68 -40.54 72.89 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.143 0.883 . . . . 0.0 110.44 -175.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 61.2 m -60.09 -51.23 70.5 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.823 0.849 . . . . 0.0 109.89 173.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.26 -47.14 86.46 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.44 -34.89 77.68 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.488 0.715 . . . . 0.0 111.843 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.16 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.686 0.676 . . . . 0.0 110.909 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.62 -43.18 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.24 76.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.981 0.513 . . . . 0.0 110.168 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.19 -42.86 99.68 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.037 0.38 . . . . 0.0 111.739 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -60.18 -46.1 90.86 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.591 0.356 . . . . 0.0 110.184 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.17 -43.58 97.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.037 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -60.41 -53.22 60.21 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.328 0.513 . . . . 0.0 109.71 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -55.94 -44.82 78.77 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.582 0.753 . . . . 0.0 111.03 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.14 -42.98 99.58 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 -173.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 123.42 0.688 . . . . 0.0 111.967 177.667 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.6 -12.68 57.52 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -143.47 151.28 40.13 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.119 0.968 . . . . 0.0 109.898 -169.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -30.46 26.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.63 -42.77 61.01 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.565 1.075 . . . . 0.0 108.624 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.73 -36.62 84.89 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.771 -0.581 . . . . 0.0 109.696 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -69.53 -33.61 73.05 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.49 -0.756 . . . . 0.0 110.747 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.23 95.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.515 0.598 . . . . 0.0 110.016 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.1 mmt -65.12 -39.62 93.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.821 0.737 . . . . 0.0 111.622 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.55 77.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.83 -53.76 51.14 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.016 0.526 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -57.26 -46.06 83.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.439 0.696 . . . . 0.0 110.327 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -58.57 -55.07 39.74 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 110.284 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -35.52 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.771 -0.771 . . . . 0.0 110.448 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.26 -49.81 68.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.549 0.613 . . . . 0.0 109.86 -177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.92 -39.94 87.19 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.284 0.633 . . . . 0.0 110.851 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.32 -25.02 66.63 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.1 m -95.41 -36.15 11.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.573 0.749 . . . . 0.0 111.621 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.69 119.3 8.42 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -84.12 51.83 2.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.743 0.817 . . . . 0.0 109.248 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -61.93 158.12 45.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 124.547 1.139 . . . . 0.0 111.987 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.76 155.73 90.23 Favored 'Cis proline' 0 C--N 1.35 0.657 0 CA-C-N 119.458 0.842 . . . . 0.0 111.727 -7.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -143.8 -168.85 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.377 1.471 . . . . 0.0 108.284 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.39 169.02 17.86 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.039 -1.038 . . . . 0.0 111.752 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.85 -177.79 39.41 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-O 122.174 0.874 . . . . 0.0 111.345 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.63 122.93 47.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.3 106.86 9.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 169.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.81 49.99 1.72 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.598 1.559 . . . . 0.0 108.404 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.227 -0.1 0 C-N-CA 124.811 1.244 . . . . 0.0 110.729 -168.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -128.32 112.59 14.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -118.07 121.28 40.19 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -70.11 131.73 44.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.74 146.81 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.964 0.506 . . . . 0.0 110.644 -174.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.75 118.0 32.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.31 107.82 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.01 -29.69 60.93 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.242 0.617 . . . . 0.0 111.577 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.6 178.31 32.5 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 107.605 -2.198 . . . . 0.0 107.605 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mtp -63.58 151.44 41.54 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 122.149 -0.618 . . . . 0.0 110.226 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.79 168.21 9.37 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.405 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.08 152.55 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.56 2.173 . . . . 0.0 112.338 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -58.56 -28.58 65.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.826 0.45 . . . . 0.0 111.204 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.53 -28.99 70.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.836 0.854 . . . . 0.0 112.294 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -81.81 -42.99 18.91 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.63 20.16 0.24 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.281 1.032 . . . . 0.0 113.648 -174.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -15.51 62.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.762 2.025 . . . . 0.0 112.371 -175.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -148.83 -19.35 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -174.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -154.04 152.37 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 -175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -87.8 124.31 33.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 118.999 0.818 . . . . 0.0 109.143 -173.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -127.1 154.57 44.55 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.328 1.051 . . . . 0.0 109.778 -175.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.29 144.66 32.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.979 0.911 . . . . 0.0 109.008 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.19 141.83 38.38 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.81 138.17 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -169.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.03 135.99 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.55 64.7 8.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 111.415 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.1 pt -58.19 -19.01 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 O-C-N 121.637 -0.664 . . . . 0.0 112.609 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.29 -2.62 87.61 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.917 1.246 . . . . 0.0 113.12 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.93 -96.47 0.13 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 119.255 1.528 . . . . 0.0 111.156 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 117.782 0.791 . . . . 0.0 112.503 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.64 -24.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 130.007 3.323 . . . . 0.0 115.953 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.68 11.22 12.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.179 1.792 . . . . 0.0 111.049 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -133.91 162.67 31.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 110.601 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.15 148.95 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.883 1.673 . . . . 0.0 110.381 -168.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.48 -175.25 4.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.285 2.234 . . . . 0.0 108.279 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.0 m -119.15 144.42 46.67 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 169.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.32 152.08 51.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.689 1.196 . . . . 0.0 109.284 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 131.06 42.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 172.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.94 -33.75 73.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.101 0.864 . . . . 0.0 109.882 172.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -56.1 -16.93 5.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.158 2.183 . . . . 0.0 113.84 174.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -117.1 15.12 15.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.722 1.209 . . . . 0.0 111.041 -171.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.37 153.87 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.403 1.481 . . . . 0.0 109.593 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -121.15 118.93 30.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.566 -2.012 . . . . 0.0 105.566 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.44 140.06 38.68 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -130.29 141.3 46.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.882 1.273 . . . . 0.0 107.909 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.44 24.7 8.78 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.692 1.597 . . . . 0.0 113.798 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.06 163.61 3.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.221 1.008 . . . . 0.0 111.908 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.54 157.07 38.65 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.367 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.17 -43.71 78.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.706 0.802 . . . . 0.0 112.077 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.43 -29.16 61.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.261 0.937 . . . . 0.0 110.824 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 69.8 m -68.21 -50.39 54.43 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.71 -48.37 79.76 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.346 0.659 . . . . 0.0 109.86 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.77 -35.27 80.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.459 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.78 91.44 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.588 1.085 . . . . 0.0 110.623 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.78 -45.01 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.94 91.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.146 0.578 . . . . 0.0 110.139 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.71 -38.92 90.53 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.847 0.459 . . . . 0.0 111.003 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -60.09 -48.98 79.47 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.393 0.542 . . . . 0.0 110.735 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.88 -45.38 94.81 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -62.56 -46.68 87.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.204 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -57.87 -45.14 86.76 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.643 1.11 . . . . 0.0 110.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.0 -42.34 97.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 123.691 0.796 . . . . 0.0 112.383 176.937 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.32 4.16 2.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.725 0.81 . . . . 0.0 111.805 -172.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -138.69 149.53 45.22 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 108.533 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -52.6 -36.51 56.35 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.42 -42.77 74.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.637 1.108 . . . . 0.0 109.416 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.57 -37.56 79.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.199 0.599 . . . . 0.0 109.614 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -72.23 -29.69 64.19 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.307 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.5 96.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.408 1.004 . . . . 0.0 109.489 169.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.61 -40.16 92.31 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.722 -0.656 . . . . 0.0 111.5 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -50.88 61.61 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.264 0.938 . . . . 0.0 111.534 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -53.27 -53.4 51.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.457 0.703 . . . . 0.0 110.32 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -55.6 -47.44 76.49 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.466 0.706 . . . . 0.0 111.407 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.97 -50.69 65.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.905 0.775 . . . . 0.0 110.259 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -35.79 75.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.201 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.27 -52.2 63.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.436 0.562 . . . . 0.0 109.925 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.95 -40.99 86.36 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.283 0.633 . . . . 0.0 110.833 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.64 -25.2 67.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.2 m -93.32 -37.53 11.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.912 0.885 . . . . 0.0 111.714 -175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.74 122.29 13.18 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -82.09 48.77 1.29 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.093 1.357 . . . . 0.0 109.523 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -63.88 154.77 80.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.025 0.93 . . . . 0.0 111.529 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.15 152.85 91.17 Favored 'Cis proline' 0 CA--C 1.538 0.695 0 CA-C-N 119.27 0.775 . . . . 0.0 111.481 -8.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.05 -168.5 2.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.483 1.513 . . . . 0.0 108.418 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.5 ptm -135.23 166.76 22.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.516 1.053 . . . . 0.0 111.746 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.29 -178.34 38.94 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.172 0.873 . . . . 0.0 111.621 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.64 119.65 36.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 170.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.43 111.21 11.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 169.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -82.44 49.61 1.48 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.368 1.467 . . . . 0.0 108.45 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 CA--C 1.519 -0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 109.632 -169.453 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -82.12 95.98 7.65 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -98.47 117.86 33.85 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -69.32 133.11 47.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.67 145.84 26.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.409 0.684 . . . . 0.0 110.843 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.41 117.61 32.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -88.18 109.73 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.96 -29.84 50.01 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.248 0.619 . . . . 0.0 111.893 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.22 177.48 32.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.505 -2.238 . . . . 0.0 107.505 -174.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.76 150.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.064 -0.668 . . . . 0.0 110.55 172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.81 168.49 8.66 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.105 0.962 . . . . 0.0 109.647 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.51 145.25 12.43 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.613 2.208 . . . . 0.0 112.098 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -28.17 63.63 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.281 0.632 . . . . 0.0 111.271 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.68 -35.36 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.198 0.999 . . . . 0.0 112.357 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -79.46 -37.29 37.26 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.326 0.512 . . . . 0.0 110.293 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.9 m -76.01 15.05 0.59 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -9.33 58.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.645 1.578 . . . . 0.0 112.563 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -137.35 -34.14 0.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.043 0.937 . . . . 0.0 112.771 -169.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -157.31 156.52 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -85.14 129.63 34.76 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.507 1.049 . . . . 0.0 109.225 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 154.23 46.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.227 1.011 . . . . 0.0 109.868 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.98 145.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 124.285 1.034 . . . . 0.0 109.125 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.16 140.86 37.65 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.08 136.62 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -172.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.09 133.71 42.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -83.04 67.75 9.24 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.772 0.829 . . . . 0.0 110.072 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 pt -60.18 -10.97 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.653 0.781 . . . . 0.0 113.035 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.02 -12.37 57.76 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 118.301 -1.277 . . . . 0.0 113.224 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.13 -22.95 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 CA-C-N 119.553 1.677 . . . . 0.0 116.02 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -137.89 -40.21 0.55 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.544 1.672 . . . . 0.0 111.446 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 59.69 -28.9 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.408 3.083 . . . . 0.0 115.227 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -105.53 5.48 31.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.656 1.582 . . . . 0.0 112.06 -172.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -134.73 161.32 35.48 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.66 0.784 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -131.59 147.58 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.107 1.763 . . . . 0.0 110.054 -168.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -139.46 -172.23 3.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.63 2.372 . . . . 0.0 108.151 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -120.03 147.5 44.72 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.1 51.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.988 1.315 . . . . 0.0 109.628 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -71.86 125.37 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.36 -36.74 78.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.107 0.867 . . . . 0.0 108.942 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 m -54.29 -11.01 0.44 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 129.23 3.012 . . . . 0.0 114.202 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -125.28 13.44 8.27 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.651 1.18 . . . . 0.0 111.676 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.7 154.98 15.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 125.522 1.529 . . . . 0.0 109.128 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.11 118.17 29.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 173.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.51 137.96 38.18 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.5 mt -129.12 136.75 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.66 1.184 . . . . 0.0 108.112 -176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 58.53 23.59 10.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.757 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.48 165.45 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.399 1.079 . . . . 0.0 112.141 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.1 156.69 38.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.02 -44.25 82.66 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.6 0.76 . . . . 0.0 112.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.25 -28.76 62.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.105 0.866 . . . . 0.0 110.811 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.7 m -68.18 -50.41 54.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -46.69 84.77 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.099 0.559 . . . . 0.0 109.764 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.59 -37.19 86.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.157 0.583 . . . . 0.0 111.359 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.69 81.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.991 0.814 . . . . 0.0 110.222 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.38 -47.89 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.68 90.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.609 0.764 . . . . 0.0 110.612 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.68 -33.48 72.62 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.228 0.467 . . . . 0.0 111.641 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -63.63 -46.04 87.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.546 0.612 . . . . 0.0 110.506 170.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.03 -43.91 98.18 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.984 -0.448 . . . . 0.0 109.854 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.87 -48.38 80.77 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.47 0.708 . . . . 0.0 110.232 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -54.46 -44.55 72.66 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.092 0.957 . . . . 0.0 110.94 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.35 -45.32 88.31 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.626 0 C-N-CA 122.702 0.401 . . . . 0.0 111.688 -175.876 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.521 0.201 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.22 93.98 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.693 -0.629 . . . . 0.0 112.169 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m 56.95 9.72 0.66 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.226 1.81 . . . . 0.0 115.149 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.64 -30.22 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 110.051 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -141.57 144.84 34.46 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -148.15 0.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 112.818 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.64 138.09 49.91 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.22 -9.46 58.63 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -169.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 m -51.83 -47.71 64.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.838 1.654 . . . . 0.0 111.055 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -35.11 79.63 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.267 0.94 . . . . 0.0 111.239 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.13 -41.04 77.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.873 0.76 . . . . 0.0 110.422 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.19 -41.88 96.89 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.874 0.761 . . . . 0.0 110.594 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.77 -50.7 63.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.398 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 tt -61.7 -40.9 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 118.855 0.752 . . . . 0.0 109.97 -176.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -56.52 -38.56 72.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.627 1.171 . . . . 0.0 111.74 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.2 p -103.44 8.02 37.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.814 0.845 . . . . 0.0 112.547 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -136.96 -29.36 0.91 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.493 -0.765 . . . . 0.0 113.048 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -121.19 -32.48 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.628 1.104 . . . . 0.0 112.014 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 29.95 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.454 1.025 . . . . 0.0 111.65 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.86 -33.98 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.963 0.905 . . . . 0.0 112.665 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -96.28 7.51 46.28 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.556 1.142 . . . . 0.0 112.072 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.42 139.81 46.96 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.945 1.298 . . . . 0.0 108.992 -170.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.2 2.1 3.01 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.905 0.882 . . . . 0.0 111.688 -169.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -136.46 150.2 48.59 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.916 1.286 . . . . 0.0 108.697 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.83 -35.35 57.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.322 -0.847 . . . . 0.0 113.228 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.66 -44.88 80.67 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.686 1.13 . . . . 0.0 109.602 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -65.59 -40.99 93.3 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -71.44 -28.92 64.3 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.716 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.0 98.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.862 0.755 . . . . 0.0 109.22 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.48 -35.68 77.88 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.015 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.78 63.96 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.97 -51.96 64.54 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.392 0.677 . . . . 0.0 110.721 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.838 0.855 . . . . 0.0 110.668 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -56.26 -55.36 34.25 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.457 1.103 . . . . 0.0 110.522 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -36.09 73.5 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.26 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.99 -54.05 44.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.676 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.34 -38.7 84.61 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 118.798 0.726 . . . . 0.0 111.104 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.55 -24.94 67.77 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -93.57 -33.07 13.88 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.054 0.941 . . . . 0.0 111.707 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.21 122.0 12.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.45 49.2 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.905 1.282 . . . . 0.0 109.277 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -64.34 155.71 79.08 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 111.588 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -69.87 154.68 93.66 Favored 'Cis proline' 0 CA--C 1.538 0.691 0 CA-C-N 119.287 0.781 . . . . 0.0 111.162 -9.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -143.76 -167.88 2.7 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.22 1.408 . . . . 0.0 108.579 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 ptm -134.32 166.97 21.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 119.443 1.02 . . . . 0.0 111.958 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.9 -178.27 38.09 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-O 122.093 0.83 . . . . 0.0 111.458 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.82 122.6 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.3 106.79 9.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.27 47.87 1.31 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.027 1.731 . . . . 0.0 108.67 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.46 119.28 4.3 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.841 1.256 . . . . 0.0 110.977 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -90.41 -12.56 37.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.082 0.401 . . . . 0.0 111.749 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m -66.06 11.73 0.07 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.921 2.088 . . . . 0.0 115.973 -169.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -60.85 154.84 21.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 120.974 -1.079 . . . . 0.0 109.429 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -54.05 -37.38 64.09 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.186 0.594 . . . . 0.0 111.722 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -82.91 -0.4 48.24 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.533 1.133 . . . . 0.0 112.522 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m 59.35 12.96 2.89 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.364 1.866 . . . . 0.0 113.812 -171.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 147.31 48.43 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.352 -0.842 . . . . 0.0 108.787 172.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.04 142.92 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -127.46 152.93 46.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 127.093 2.157 . . . . 0.0 105.222 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.58 106.78 9.2 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -111.91 120.11 40.8 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -69.64 131.97 45.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.96 146.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.163 0.585 . . . . 0.0 110.721 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.95 126.83 41.47 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.34 111.19 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.45 -30.2 61.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.577 0.751 . . . . 0.0 111.063 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.38 -178.3 30.48 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 mtp -63.69 151.15 42.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 110.364 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.75 4.57 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.856 0.862 . . . . 0.0 109.981 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.59 137.35 33.23 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.487 2.125 . . . . 0.0 111.508 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.39 -29.95 64.51 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.667 0.787 . . . . 0.0 111.661 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.412 1.085 . . . . 0.0 112.813 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -85.51 -26.63 26.12 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.704 -0.622 . . . . 0.0 110.641 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -88.55 22.27 2.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.784 1.233 . . . . 0.0 113.05 -170.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.59 -7.71 46.13 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.806 1.243 . . . . 0.0 111.89 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -138.04 -28.96 0.85 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.438 1.095 . . . . 0.0 112.799 -169.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -154.03 149.49 27.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.4 mmt -76.95 84.08 3.49 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -78.29 153.38 31.83 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.24 -0.912 . . . . 0.0 110.878 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.74 145.09 31.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 124.898 1.279 . . . . 0.0 108.796 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.76 140.8 32.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -141.79 143.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.409 0.684 . . . . 0.0 109.974 -171.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.09 136.26 50.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 172.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.65 65.08 6.64 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 pt -58.9 -18.16 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 121.487 -0.758 . . . . 0.0 112.478 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.25 -3.76 88.58 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.889 1.233 . . . . 0.0 113.084 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.6 -97.04 0.14 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 119.194 1.497 . . . . 0.0 111.167 -174.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -60.59 -34.97 75.0 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.588 0.694 . . . . 0.0 112.541 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 60.35 -27.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 130.452 3.501 . . . . 0.0 116.556 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.45 7.53 22.77 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.424 1.49 . . . . 0.0 111.674 -170.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -137.09 164.66 27.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.969 0.908 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.9 147.15 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.569 1.548 . . . . 0.0 108.859 -169.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.76 -173.22 3.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.685 2.394 . . . . 0.0 107.863 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -123.26 147.22 47.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.19 157.52 46.14 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.946 1.298 . . . . 0.0 109.625 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 129.72 37.16 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.756 1.162 . . . . 0.0 109.355 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -54.19 -13.37 0.83 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.209 2.604 . . . . 0.0 114.068 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -124.5 14.62 8.84 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.252 1.421 . . . . 0.0 110.927 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.74 155.64 30.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.618 1.567 . . . . 0.0 109.591 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -124.94 119.11 27.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.8 40.41 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.4 mt -129.7 140.92 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.473 1.109 . . . . 0.0 108.524 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.57 35.87 19.1 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.759 1.624 . . . . 0.0 113.369 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -107.43 169.17 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.77 0.828 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.05 152.26 45.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.911 0.885 . . . . 0.0 110.535 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.06 -42.18 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.147 0.979 . . . . 0.0 112.086 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -73.23 -28.49 62.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.197 0.908 . . . . 0.0 111.005 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.536 HG21 HG21 ' A' ' 105' ' ' VAL . 92.0 m -70.38 -50.81 34.96 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.14 89.17 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.48 -38.94 92.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.463 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.94 95.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 110.519 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.0 -47.08 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.606 0.763 . . . . 0.0 109.1 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.61 89.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.9 -35.98 79.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.965 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -60.69 -47.32 86.79 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.96 0.8 . . . . 0.0 110.156 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.92 -45.5 93.43 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.532 0.333 . . . . 0.0 110.108 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.17 -44.51 95.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.529 0.732 . . . . 0.0 110.574 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -58.63 -48.11 82.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.743 0.701 . . . . 0.0 109.989 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.7 -42.46 97.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.11 85.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.017 0.927 . . . . 0.0 112.175 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -66.24 -26.34 67.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.013 0.925 . . . . 0.0 111.406 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.13 125.18 0.99 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.17 67.56 2.48 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.512 1.125 . . . . 0.0 109.46 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.31 -38.63 74.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.279 -0.888 . . . . 0.0 109.431 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.3 p90 . . . . . 0 C--O 1.248 1.018 0 C-N-CA 128.22 2.608 . . . . 0.0 106.27 173.354 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.6 -22.54 61.71 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.18 -0.95 . . . . 0.0 112.303 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -56.74 -22.48 35.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.176 1.39 . . . . 0.0 114.646 -169.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.06 -19.52 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 119.297 0.953 . . . . 0.0 111.992 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -58.67 -17.58 23.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.028 1.331 . . . . 0.0 112.79 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -54.3 -25.65 24.97 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.603 0.761 . . . . 0.0 112.332 171.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -78.47 69.4 4.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.094 0.95 . . . . 0.0 109.915 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.6 -26.48 68.0 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.726 -0.609 . . . . 0.0 111.974 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -62.0 -48.09 81.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.776 0.716 . . . . 0.0 109.456 173.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -63.52 -40.49 97.19 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.585 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.05 -48.26 80.62 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.102 0.864 . . . . 0.0 110.081 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -47.91 83.78 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.486 0.715 . . . . 0.0 110.934 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -70.63 -43.57 68.96 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 119.649 1.113 . . . . 0.0 110.897 -173.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tt -61.71 -43.36 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 119.344 0.974 . . . . 0.0 108.499 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -38.8 90.91 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.971 . . . . 0.0 112.183 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.13 -7.0 37.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -134.75 -27.83 1.27 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.26 0.937 . . . . 0.0 113.193 -169.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -114.43 -35.16 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 119.612 1.096 . . . . 0.0 112.017 -169.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.04 19.73 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.793 1.179 . . . . 0.0 111.612 174.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -36.98 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.777 0.831 . . . . 0.0 111.839 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.6 -18.34 54.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.401 1.08 . . . . 0.0 112.634 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.91 146.3 41.94 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.802 -0.561 . . . . 0.0 111.095 -173.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -130.03 -19.63 3.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.931 1.692 . . . . 0.0 110.291 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.16 148.79 43.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.775 1.23 . . . . 0.0 110.157 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -27.23 46.2 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.36 -42.02 79.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.444 1.475 . . . . 0.0 109.458 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.52 -36.47 82.79 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.407 0.683 . . . . 0.0 110.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -44.7 79.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.135 0.574 . . . . 0.0 110.595 171.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.06 87.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.184 0.447 . . . . 0.0 109.878 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.9 mmt -65.17 -39.05 92.37 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.611 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.97 -51.45 59.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 119.499 1.045 . . . . 0.0 111.275 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -54.94 -49.28 71.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.014 0.526 . . . . 0.0 110.862 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.17 -46.58 82.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.195 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.04 -51.34 64.63 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.918 0.781 . . . . 0.0 110.063 -171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -37.41 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.902 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.18 -50.4 68.25 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.823 0.738 . . . . 0.0 109.743 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.3 -41.61 89.42 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.473 0.709 . . . . 0.0 110.891 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.96 -25.71 67.24 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -93.31 -37.74 11.87 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 111.474 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.9 124.11 18.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.316 0.646 . . . . 0.0 109.408 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.69 50.76 1.01 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.638 1.975 . . . . 0.0 108.801 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -70.47 153.91 94.76 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 121.096 -1.002 . . . . 0.0 111.059 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 150.73 87.71 Favored 'Cis proline' 0 CA--C 1.537 0.635 0 CA-C-N 119.305 0.787 . . . . 0.0 110.427 -10.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -138.42 -172.26 3.24 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.908 1.283 . . . . 0.0 108.363 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.8 ptm -130.76 168.76 16.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 119.459 1.027 . . . . 0.0 111.565 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -176.96 39.32 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-O 122.174 0.874 . . . . 0.0 111.74 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -118.14 119.74 35.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -77.17 108.28 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -81.03 49.21 1.2 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.063 1.745 . . . . 0.0 108.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.96 118.92 5.45 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.558 1.143 . . . . 0.0 111.45 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.45 139.11 49.53 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 169.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 t -148.87 164.53 34.22 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.266 1.027 . . . . 0.0 109.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 60.06 171.02 0.08 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.571 1.948 . . . . 0.0 111.747 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -61.97 -27.16 68.66 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.103 -0.998 . . . . 0.0 111.241 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -73.23 -8.76 57.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.429 1.491 . . . . 0.0 112.905 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m 54.33 33.11 17.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.55 1.14 . . . . 0.0 112.059 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -56.53 131.43 48.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.779 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.28 136.92 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.57 151.81 38.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -128.63 94.47 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -169.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -98.58 119.73 37.79 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 m -70.03 134.47 48.31 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.26 155.15 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.911 0.484 . . . . 0.0 111.668 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -107.02 116.35 31.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.1 110.97 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.87 -30.66 56.33 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.079 0.552 . . . . 0.0 112.121 -169.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.37 -178.46 34.6 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.219 -1.952 . . . . 0.0 108.219 -174.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.42 149.28 48.75 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.365 -0.491 . . . . 0.0 110.411 173.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.12 171.21 6.94 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.225 1.01 . . . . 0.0 110.426 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.21 148.95 9.44 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.066 2.511 . . . . 0.0 112.736 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.41 -28.56 67.03 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.264 0.626 . . . . 0.0 111.859 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.46 -34.44 74.39 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.261 0.624 . . . . 0.0 111.611 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.67 -47.92 70.98 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.39 15.0 0.5 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -170.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.38 -11.79 60.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.116 0.871 . . . . 0.0 112.04 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.87 -19.61 0.81 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -155.48 151.54 27.84 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -77.57 81.2 4.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.07 149.12 35.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.22 142.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.248 1.019 . . . . 0.0 108.913 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.17 142.66 43.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 p -149.49 139.95 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -169.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.88 138.0 51.58 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.33 1.052 . . . . 0.0 108.851 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.35 66.72 9.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 124.426 1.09 . . . . 0.0 110.957 -170.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.4 pt -58.33 -19.01 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.64 -0.663 . . . . 0.0 112.561 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.43 88.61 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.839 1.209 . . . . 0.0 113.056 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.08 -94.71 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 119.167 1.484 . . . . 0.0 111.06 -174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -60.11 -36.63 77.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 117.758 0.779 . . . . 0.0 112.373 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 59.83 -25.45 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 130.387 3.475 . . . . 0.0 116.411 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -118.37 11.12 12.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.056 1.742 . . . . 0.0 111.11 -172.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.66 164.13 28.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.239 1.016 . . . . 0.0 110.33 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.4 p -135.39 149.62 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.656 1.583 . . . . 0.0 110.067 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.33 -171.35 3.18 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.459 2.303 . . . . 0.0 108.435 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.47 146.36 48.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.32 42.1 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.595 1.158 . . . . 0.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -82.7 125.5 31.3 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.58 -29.38 69.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.574 1.079 . . . . 0.0 111.271 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' ' HE1' ' A' ' 116' ' ' TRP . 2.7 p -61.85 -20.88 64.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.967 1.307 . . . . 0.0 112.998 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -103.78 10.88 36.4 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.093 0.957 . . . . 0.0 111.343 -174.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.94 154.47 22.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.91 1.684 . . . . 0.0 108.941 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -120.95 117.88 28.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.84 139.45 40.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -129.65 143.3 41.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.041 1.337 . . . . 0.0 107.693 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.3 t70 56.61 23.36 7.63 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.672 1.589 . . . . 0.0 113.928 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.8 m -79.28 164.65 3.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.046 0.939 . . . . 0.0 111.65 175.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.35 157.08 38.71 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.37 169.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.92 -44.54 82.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.529 0.731 . . . . 0.0 111.823 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -73.09 -27.8 61.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.192 0.906 . . . . 0.0 110.927 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 53.6 m -69.35 -49.87 51.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 173.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.05 -46.14 85.85 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.549 0.613 . . . . 0.0 109.778 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.38 -36.48 83.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.215 0.606 . . . . 0.0 111.252 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.42 84.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.239 0.927 . . . . 0.0 110.571 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.25 -43.13 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.68 95.1 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.682 0.793 . . . . 0.0 110.665 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.2 -39.91 82.31 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.6 0.636 . . . . 0.0 111.607 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.439 ' HE1' ' N ' ' A' ' 98' ' ' SER . 2.7 t-105 -58.14 -44.72 87.98 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.226 0.61 . . . . 0.0 110.437 170.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.69 -45.26 93.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.91 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.21 -40.53 97.75 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.251 0.932 . . . . 0.0 111.559 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 119' ' ' TRP . 2.8 t90 -51.73 -65.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 169.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 -31.19 70.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.815 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.886 1.274 . . . . 0.0 112.944 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -70.83 -34.68 71.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.35 163.21 10.24 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 125.056 1.313 . . . . 0.0 111.611 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -85.15 -152.63 0.15 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.485 1.114 . . . . 0.0 108.805 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 51.16 56.66 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.483 1.513 . . . . 0.0 110.951 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.589 1.155 . . . . 0.0 109.798 177.912 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.504 ' HG2' ' H ' ' A' ' 3' ' ' SER . 22.1 ttt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.57 -18.54 61.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.955 0.902 . . . . 0.0 112.121 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.504 ' H ' ' HG2' ' A' ' 1' ' ' MET . 13.1 m 68.89 21.16 7.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.103 2.161 . . . . 0.0 111.958 -176.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.99 -3.57 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.831 1.252 . . . . 0.0 111.987 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -79.38 -173.45 3.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.603 1.161 . . . . 0.0 111.06 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 51.23 40.03 25.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.907 1.683 . . . . 0.0 113.114 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -147.56 99.54 3.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.5 -19.14 64.51 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.955 0.902 . . . . 0.0 112.8 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -55.66 -38.55 69.74 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.195 0.907 . . . . 0.0 110.545 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.61 -45.99 91.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.183 0.447 . . . . 0.0 110.281 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.31 -36.93 80.07 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.074 0.549 . . . . 0.0 110.86 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -65.7 -50.72 63.87 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -69.72 -42.63 73.74 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.693 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 tt -58.08 -49.32 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 119.477 1.035 . . . . 0.0 108.505 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.24 -41.91 97.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.341 1.057 . . . . 0.0 111.554 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 p -89.77 -9.27 49.88 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.032 -171.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -132.65 -41.38 0.95 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.901 1.228 . . . . 0.0 112.885 -170.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.5 mt -93.55 -33.68 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 118.807 0.73 . . . . 0.0 109.896 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.49 12.14 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.617 0.767 . . . . 0.0 112.162 -170.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.03 -34.53 49.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 123.854 0.862 . . . . 0.0 111.923 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -82.39 2.14 33.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.341 1.456 . . . . 0.0 112.796 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.6 152.6 51.58 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.779 1.231 . . . . 0.0 110.443 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.8 -2.49 2.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.312 0.645 . . . . 0.0 112.733 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -135.41 148.66 49.41 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.737 1.215 . . . . 0.0 108.62 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -48.89 -38.26 22.08 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.1 -43.35 74.68 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.427 1.012 . . . . 0.0 109.573 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.59 -35.21 75.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.634 0.774 . . . . 0.0 109.94 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -72.34 -30.9 65.18 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.187 -0.945 . . . . 0.0 110.911 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.3 86.12 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.796 0.725 . . . . 0.0 109.637 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.9 -36.76 83.0 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.531 -0.731 . . . . 0.0 111.603 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -53.34 39.48 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.3 0.954 . . . . 0.0 111.141 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -51.62 -54.45 27.68 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.42 0.688 . . . . 0.0 110.606 171.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -54.78 -48.4 72.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.26 0.624 . . . . 0.0 110.88 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.29 -53.3 57.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.63 0.65 . . . . 0.0 110.118 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -35.06 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.49 -176.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.22 -51.53 63.25 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.434 0.561 . . . . 0.0 109.62 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.04 -39.08 84.7 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.493 0.717 . . . . 0.0 110.96 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.43 -26.57 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.9 m -88.78 -40.36 13.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.484 0.713 . . . . 0.0 111.348 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 130.68 47.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 109.695 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.81 20.2 0.47 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.526 1.53 . . . . 0.0 112.591 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -45.7 146.57 1.82 Allowed Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.87 1.668 . . . . 0.0 114.977 -168.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -61.38 151.93 57.43 Favored 'Cis proline' 0 CA--C 1.539 0.759 0 CA-C-N 118.954 0.662 . . . . 0.0 113.19 -10.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -141.79 -171.56 3.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.474 1.51 . . . . 0.0 107.934 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ptm -131.26 167.34 19.37 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.999 1.272 . . . . 0.0 112.415 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.98 -177.25 39.12 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 121.78 0.656 . . . . 0.0 112.05 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.35 120.41 39.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -77.49 108.25 10.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -79.55 53.55 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.583 1.553 . . . . 0.0 109.889 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.68 116.07 2.92 Favored 'General case' 0 CA--C 1.523 -0.075 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -171.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.8 129.99 41.83 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 m -59.95 152.27 24.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.469 0.708 . . . . 0.0 109.247 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' H ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -50.06 114.18 1.03 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.429 1.092 . . . . 0.0 111.534 -169.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 43.24 40.27 2.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.027 1.731 . . . . 0.0 112.708 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 t -147.66 163.27 37.18 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.716 -0.615 . . . . 0.0 109.368 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -71.47 -22.54 61.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.103 0.961 . . . . 0.0 113.131 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -60.12 153.07 22.73 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.968 1.307 . . . . 0.0 110.849 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mt -124.05 146.87 28.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.815 1.246 . . . . 0.0 107.869 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -116.86 141.03 48.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.05 100.66 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -169.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -105.52 119.72 39.83 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -70.36 132.14 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.84 153.91 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.993 0.517 . . . . 0.0 111.842 -171.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -104.43 125.5 50.69 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 168.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.43 108.78 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.7 -29.01 58.85 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 111.717 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.49 -178.72 33.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.99 149.74 46.71 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.427 -0.454 . . . . 0.0 109.943 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -71.3 175.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 123.335 0.654 . . . . 0.0 110.212 169.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 84.0 Cg_exo -49.3 143.07 20.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.344 2.696 . . . . 0.0 113.246 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.7 -39.07 64.87 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 125.002 1.321 . . . . 0.0 110.228 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.57 -36.16 82.97 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.229 1.012 . . . . 0.0 111.858 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -72.99 -37.07 67.15 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.77 13.21 1.39 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.29 -5.39 39.23 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.429 1.092 . . . . 0.0 111.745 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -141.0 -22.79 0.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.094 0.958 . . . . 0.0 113.226 -169.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -158.32 157.76 33.07 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.503 1.047 . . . . 0.0 108.942 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -84.88 81.9 8.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.073 0.851 . . . . 0.0 109.061 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.6 149.05 33.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.014 0.526 . . . . 0.0 110.189 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 m -133.84 143.66 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.328 1.051 . . . . 0.0 109.0 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.99 141.26 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.9 138.88 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.96 54.05 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.169 0.988 . . . . 0.0 108.525 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -80.68 67.54 6.59 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.021 1.328 . . . . 0.0 109.73 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.85 -12.08 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 121.051 -1.031 . . . . 0.0 112.855 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.93 -3.84 59.03 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.33 -1.261 . . . . 0.0 113.132 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.01 -6.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.917 0 CA-C-N 119.673 1.737 . . . . 0.0 116.943 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -140.43 -45.51 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.311 2.055 . . . . 0.0 109.298 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 58.47 -26.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.694 3.198 . . . . 0.0 115.524 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.97 6.06 24.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.62 1.568 . . . . 0.0 112.054 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -137.08 162.61 32.88 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.589 0.756 . . . . 0.0 111.102 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.9 t -135.24 150.78 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.642 1.577 . . . . 0.0 109.169 -169.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.76 -170.11 2.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.842 2.457 . . . . 0.0 107.977 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 m -123.41 147.66 46.89 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.82 161.42 37.28 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 124.563 1.145 . . . . 0.0 110.135 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 126.85 31.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 171.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.57 -31.09 65.8 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.288 0.494 . . . . 0.0 110.497 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -54.61 -17.6 3.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.769 2.027 . . . . 0.0 113.883 173.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.77 13.87 16.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.338 1.055 . . . . 0.0 111.846 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -121.86 154.05 26.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 125.427 1.491 . . . . 0.0 109.427 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -119.67 120.6 37.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 170.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.46 139.9 41.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -128.07 144.7 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.929 1.292 . . . . 0.0 108.166 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.86 26.93 12.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 113.5 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m -90.55 164.56 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.091 0.956 . . . . 0.0 111.45 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.39 157.71 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.01 1.324 . . . . 0.0 109.346 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.2 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.118 0.967 . . . . 0.0 112.14 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.41 -36.2 71.25 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.356 0.98 . . . . 0.0 110.923 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.8 m -63.71 -51.11 66.47 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.702 0.801 . . . . 0.0 109.014 173.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.86 -44.95 93.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -63.34 -36.6 84.22 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.402 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.28 90.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.357 0.98 . . . . 0.0 110.252 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.4 -43.09 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.62 96.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.443 0.697 . . . . 0.0 110.383 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.91 -35.43 76.83 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.153 0.433 . . . . 0.0 111.475 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.27 -46.56 89.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.391 0.541 . . . . 0.0 110.176 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.58 -41.84 99.19 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.94 -0.475 . . . . 0.0 110.526 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -62.73 -45.76 91.24 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.302 0.501 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.2 -38.43 79.86 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.917 0.78 . . . . 0.0 111.732 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -50.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.14 85.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.463 0.705 . . . . 0.0 112.349 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.38 -26.88 68.2 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.265 1.026 . . . . 0.0 111.596 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.61 -20.91 0.07 OUTLIER Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.348 -1.807 . . . . 0.0 117.0 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 t80 43.08 51.89 5.45 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.02 1.91 . . . . 0.0 113.258 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.86 -26.82 65.34 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 128.928 2.891 . . . . 0.0 105.806 179.021 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtm . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.66 45.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -67.56 -6.64 20.92 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -48.51 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.325 1.45 . . . . 0.0 110.654 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 52.62 27.7 5.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.308 1.843 . . . . 0.0 113.863 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -68.03 9.51 0.29 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.36 143.54 39.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.23 0.923 . . . . 0.0 109.373 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.69 -25.83 55.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.852 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 t -61.01 -39.88 91.41 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.793 1.178 . . . . 0.0 110.605 176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -65.4 -45.66 83.12 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.775 1.171 . . . . 0.0 109.379 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.73 -42.66 97.74 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.9 -51.75 66.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.4 1.08 . . . . 0.0 111.027 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -64.16 -46.91 81.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.607 -0.683 . . . . 0.0 110.42 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 tt -61.03 -41.73 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -60.6 -48.83 80.04 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.945 0.898 . . . . 0.0 110.249 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.5 p -90.6 13.2 16.58 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -135.94 -47.4 0.66 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.69 -28.42 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.358 0.981 . . . . 0.0 111.857 -169.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 pt -135.84 22.09 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -167.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 m -56.53 -34.69 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.296 0.639 . . . . 0.0 112.597 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.78 1.7 45.55 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.227 1.011 . . . . 0.0 112.549 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.51 155.73 45.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.083 0.953 . . . . 0.0 110.92 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.92 2.12 1.72 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.004 0.922 . . . . 0.0 112.728 -173.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -129.38 145.64 51.37 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.182 1.393 . . . . 0.0 107.827 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -36.14 33.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.47 -43.97 62.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.768 1.167 . . . . 0.0 109.129 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -66.56 -34.68 78.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.226 0.61 . . . . 0.0 109.967 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -73.23 -31.37 64.1 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 121.022 -1.049 . . . . 0.0 111.248 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.46 87.2 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.287 0.949 . . . . 0.0 109.389 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.6 -37.92 85.92 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.756 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.5 -52.8 45.49 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 120.032 1.287 . . . . 0.0 111.37 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -54.47 -48.71 71.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.577 0.751 . . . . 0.0 110.861 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -57.34 -47.76 80.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.157 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -62.28 -52.49 63.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.554 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.6 -36.93 76.65 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.911 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.53 -49.22 69.75 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.484 0.583 . . . . 0.0 109.966 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.2 -38.47 83.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.734 0.814 . . . . 0.0 110.922 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -25.1 64.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -95.59 -36.56 11.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.396 0.678 . . . . 0.0 111.829 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.36 118.18 6.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -83.99 51.93 2.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.567 0.747 . . . . 0.0 109.102 174.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -61.87 158.06 45.7 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 124.68 1.192 . . . . 0.0 111.756 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.83 156.8 89.96 Favored 'Cis proline' 0 C--N 1.35 0.624 0 CA-C-N 119.496 0.856 . . . . 0.0 111.637 -7.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.39 -170.4 3.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.103 1.361 . . . . 0.0 108.759 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.21 170.24 15.29 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 119.373 0.988 . . . . 0.0 111.441 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.02 -177.34 39.73 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-O 122.158 0.866 . . . . 0.0 112.542 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -118.94 118.82 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 169.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.23 109.08 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -78.1 55.76 1.53 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.082 1.353 . . . . 0.0 109.215 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.95 133.28 54.4 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.12 0.968 . . . . 0.0 109.849 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -79.42 153.53 29.62 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -70.95 -175.24 1.08 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.782 0.833 . . . . 0.0 110.715 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.73 63.38 5.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.222 1.409 . . . . 0.0 109.739 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 52.02 47.33 24.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.123 1.369 . . . . 0.0 110.237 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -128.56 22.47 5.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.605 1.562 . . . . 0.0 110.487 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 m 48.77 38.02 10.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.478 1.911 . . . . 0.0 114.21 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -130.13 163.26 26.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.354 1.462 . . . . 0.0 107.247 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -130.29 141.7 45.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -107.8 150.45 26.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 127.017 2.127 . . . . 0.0 105.828 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.69 91.0 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -173.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.33 118.86 33.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -70.53 133.31 46.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.73 156.95 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.407 0.683 . . . . 0.0 111.41 -171.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -107.0 126.37 52.23 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 169.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.61 111.38 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.92 -30.07 55.95 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.336 0.655 . . . . 0.0 111.612 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.47 33.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -63.4 150.25 43.99 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.486 . . . . 0.0 110.182 171.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 170.31 6.63 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 123.911 0.884 . . . . 0.0 110.173 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.72 146.88 14.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.813 2.342 . . . . 0.0 112.263 171.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -58.85 -28.48 66.13 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.128 0.571 . . . . 0.0 111.643 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.48 -34.08 77.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.285 0.634 . . . . 0.0 111.8 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.76 -41.38 65.13 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -75.55 12.74 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -171.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.33 -13.08 61.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.079 0.952 . . . . 0.0 111.781 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.18 -23.63 1.7 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -157.01 151.82 25.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.462 1.028 . . . . 0.0 108.675 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 80.25 4.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.867 0.867 . . . . 0.0 108.713 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.49 152.03 32.26 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.771 0.828 . . . . 0.0 109.998 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.24 144.22 36.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.613 1.165 . . . . 0.0 109.023 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.37 141.11 43.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 169.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.93 136.68 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -169.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.31 133.55 52.9 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.33 73.8 9.34 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.915 0.886 . . . . 0.0 109.883 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.6 pt -62.15 -5.36 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.68 -12.16 48.29 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 118.297 -1.28 . . . . 0.0 112.852 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.06 -11.79 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.618 1.709 . . . . 0.0 116.543 -169.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -135.98 -44.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.867 1.833 . . . . 0.0 110.502 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.8 -25.25 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.48 3.112 . . . . 0.0 115.902 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -117.43 9.93 13.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.039 1.736 . . . . 0.0 111.273 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -133.66 161.19 35.34 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.408 1.083 . . . . 0.0 110.367 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -135.29 148.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.165 1.386 . . . . 0.0 109.664 -168.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.37 -169.54 2.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 128.001 2.52 . . . . 0.0 107.873 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.29 146.88 47.53 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.68 160.46 38.77 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 124.658 1.183 . . . . 0.0 109.986 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.05 128.87 33.81 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 171.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.46 -33.42 69.73 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.356 0.98 . . . . 0.0 109.965 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -51.3 -18.05 0.87 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.121 2.569 . . . . 0.0 114.48 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -123.42 13.23 9.47 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.899 0.88 . . . . 0.0 112.292 -171.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.13 152.52 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 125.266 1.426 . . . . 0.0 109.342 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -112.73 120.86 42.97 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.57 139.93 37.35 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.0 mt -129.91 143.88 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.14 1.376 . . . . 0.0 107.657 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.34 21.82 7.18 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.738 1.615 . . . . 0.0 113.848 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.6 m -77.97 163.62 3.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 124.064 0.946 . . . . 0.0 111.841 176.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.41 157.23 38.42 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.366 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.4 -44.06 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 111.974 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.41 -29.6 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.266 0.939 . . . . 0.0 110.824 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.8 m -67.59 -50.51 57.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.13 -46.44 85.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.697 0.68 . . . . 0.0 110.086 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -62.94 -37.42 86.99 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.201 0.601 . . . . 0.0 111.078 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.5 93.62 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.182 0.901 . . . . 0.0 110.569 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.65 -45.76 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.54 92.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.096 0.558 . . . . 0.0 110.387 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -37.04 79.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 46.8 t-105 -59.17 -46.94 87.09 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.719 0.407 . . . . 0.0 109.987 170.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.21 -40.99 99.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.286 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -63.56 -44.94 92.67 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.891 0.768 . . . . 0.0 110.599 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -60.34 -38.94 85.33 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.8 -0.563 . . . . 0.0 111.267 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.38 -47.18 83.15 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.45 72.59 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.754 1.222 . . . . 0.0 112.814 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.02 -20.51 24.68 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.351 0.978 . . . . 0.0 112.207 173.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.78 76.18 0.51 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -55.41 140.65 39.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.182 0.593 . . . . 0.0 111.373 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -140.1 -5.1 1.3 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -169.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.251 1.16 0 CA-C-N 119.283 0.947 . . . . 0.0 109.468 175.439 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.13 66.74 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -70.49 28.75 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.063 2.145 . . . . 0.0 115.21 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.2 -16.54 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 120.945 -1.097 . . . . 0.0 112.278 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.71 151.43 33.66 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 0.0 107.968 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -130.47 -3.9 4.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.986 1.315 . . . . 0.0 111.841 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -84.02 -14.56 50.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.499 1.52 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.58 -3.98 0.19 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.667 2.387 . . . . 0.0 115.635 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 m -61.25 -46.02 92.09 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 121.338 1.881 . . . . 0.0 110.841 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -35.01 78.72 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.387 1.449 . . . . 0.0 109.391 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.93 -49.71 70.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.365 0.984 . . . . 0.0 110.634 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.23 -49.56 75.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.375 1.07 . . . . 0.0 110.249 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -64.25 -47.9 77.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 121.497 -0.752 . . . . 0.0 111.108 -175.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tt -58.37 -43.06 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -62.65 -39.73 94.8 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.374 1.07 . . . . 0.0 111.994 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -95.12 -1.75 51.35 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -169.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -139.55 -21.73 0.91 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.75 -40.66 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.805 1.639 . . . . 0.0 110.276 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -129.17 10.07 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.033 0.933 . . . . 0.0 112.906 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.9 -33.92 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.669 0.787 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -2.8 29.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.396 1.478 . . . . 0.0 112.918 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.98 154.89 50.82 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.175 1.39 . . . . 0.0 109.762 -170.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.82 -1.17 1.84 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -133.77 148.9 51.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.797 1.239 . . . . 0.0 108.238 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.28 -37.11 45.53 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.98 -44.19 73.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.926 1.239 . . . . 0.0 109.369 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.07 -36.07 81.21 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.703 0.801 . . . . 0.0 110.056 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.53 -32.04 64.0 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 121.195 -0.941 . . . . 0.0 111.123 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.14 98.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.995 0.816 . . . . 0.0 109.352 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.4 mmt -60.86 -41.27 95.54 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.081 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.1 -52.76 49.39 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 119.617 1.099 . . . . 0.0 111.737 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -53.99 -50.91 65.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.384 0.674 . . . . 0.0 110.852 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.01 -46.08 82.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.205 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -61.24 -50.94 71.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.909 0.777 . . . . 0.0 109.881 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -34.77 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.72 -177.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.02 -52.45 62.86 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.541 1.064 . . . . 0.0 109.621 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.18 -36.35 75.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.915 0.779 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -69.68 -26.43 64.37 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.3 m -98.53 -34.16 10.71 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.867 0.867 . . . . 0.0 112.358 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 109' ' ' THR . 65.7 mt -66.83 3.66 1.01 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -169.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 19.36 60.13 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 130.98 3.712 . . . . 0.0 114.17 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.23 156.56 10.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.692 1.197 . . . . 0.0 113.258 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.12 162.91 91.84 Favored 'Cis proline' 0 CA--C 1.537 0.651 0 CA-C-N 118.562 0.522 . . . . 0.0 111.114 -10.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -143.55 -171.61 3.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -136.32 166.13 24.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.634 1.106 . . . . 0.0 112.62 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.86 -177.44 37.42 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.108 0.838 . . . . 0.0 111.357 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.5 122.05 46.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -76.9 108.55 10.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.78 53.82 2.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.705 1.602 . . . . 0.0 108.43 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.23 154.43 19.9 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.202 1.401 . . . . 0.0 110.167 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -110.0 125.74 53.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 m -143.05 177.55 8.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.737 0.815 . . . . 0.0 110.769 -169.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.56 171.09 0.11 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.239 1.816 . . . . 0.0 111.709 -171.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.08 -31.75 71.41 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.351 -0.843 . . . . 0.0 110.834 172.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 p -73.3 -7.14 50.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.919 1.288 . . . . 0.0 113.016 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m 53.48 31.89 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.559 1.144 . . . . 0.0 112.292 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 m -61.43 144.18 54.58 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.067 0.947 . . . . 0.0 108.951 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 mm -64.11 140.14 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 171.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -128.04 153.43 46.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.626 2.37 . . . . 0.0 104.977 169.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.6 105.1 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -169.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -110.68 120.23 41.74 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -70.02 132.08 45.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 m -140.34 145.67 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.031 0.532 . . . . 0.0 110.923 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.17 131.69 43.67 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.16 114.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.66 -31.21 22.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.847 0.859 . . . . 0.0 112.362 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.03 167.68 29.04 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.4 mtp -71.37 152.41 43.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.443 0.622 . . . . 0.0 109.485 169.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.61 165.76 27.71 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.518 1.127 . . . . 0.0 112.257 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.26 158.7 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.548 3.499 . . . . 0.0 114.935 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.16 -36.62 13.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.155 1.782 . . . . 0.0 112.001 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.48 -24.19 67.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.423 0.689 . . . . 0.0 112.448 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -102.72 -46.04 4.83 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.205 1.002 . . . . 0.0 110.045 -174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.8 p -71.44 -2.43 16.59 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.17 -10.41 59.74 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.417 1.087 . . . . 0.0 112.235 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -26.28 1.16 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -156.62 149.85 24.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.651 1.114 . . . . 0.0 109.868 -174.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.85 75.76 7.78 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.227 1.011 . . . . 0.0 109.336 -172.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.47 153.04 25.83 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.676 0.79 . . . . 0.0 109.841 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.8 m -136.52 145.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 125.402 1.481 . . . . 0.0 108.811 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.32 141.06 40.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.28 141.12 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -169.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.31 135.17 53.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -82.51 66.34 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.438 1.095 . . . . 0.0 110.839 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 pt -59.05 -17.02 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.553 -0.717 . . . . 0.0 112.518 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 -3.89 87.46 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.908 1.242 . . . . 0.0 113.167 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.6 -93.77 0.1 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 119.292 1.546 . . . . 0.0 111.263 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.31 -37.1 76.92 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 117.934 0.867 . . . . 0.0 112.359 -172.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.92 -25.47 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.22 3.408 . . . . 0.0 116.141 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.16 9.94 13.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.004 1.722 . . . . 0.0 111.244 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -134.51 162.75 31.39 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.042 0.937 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.89 145.61 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.879 1.672 . . . . 0.0 109.064 -169.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.75 -172.79 3.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.721 2.408 . . . . 0.0 107.801 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -122.83 143.74 49.66 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.98 152.85 51.37 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.956 1.303 . . . . 0.0 108.89 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 128.84 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.57 -31.67 68.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.309 0.504 . . . . 0.0 110.448 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -51.51 -19.8 1.61 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.916 2.486 . . . . 0.0 114.237 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.35 13.98 14.63 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.322 1.049 . . . . 0.0 111.534 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -119.63 153.21 22.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 125.383 1.473 . . . . 0.0 109.467 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -119.44 118.04 30.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.02 140.54 37.93 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.1 mt -129.23 141.31 46.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 124.176 0.991 . . . . 0.0 108.93 -174.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.5 38.4 22.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.815 1.646 . . . . 0.0 112.782 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.2 p -112.83 164.7 8.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.742 0.817 . . . . 0.0 110.828 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 154.37 40.82 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.882 0.873 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.02 -42.36 76.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.13 0.972 . . . . 0.0 112.154 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.42 -34.65 70.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.434 1.015 . . . . 0.0 110.707 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 m -63.9 -53.25 53.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 108.8 174.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -45.38 91.21 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.268 0.627 . . . . 0.0 109.882 -178.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.26 -37.34 86.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.271 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.48 95.7 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.451 1.023 . . . . 0.0 110.669 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.54 -44.75 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.92 89.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.061 0.545 . . . . 0.0 110.321 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -68.03 -38.38 82.47 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.845 0.458 . . . . 0.0 111.713 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.14 -45.8 90.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.372 0.533 . . . . 0.0 110.581 170.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.99 -41.56 97.47 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.91 -0.493 . . . . 0.0 110.468 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -64.14 -41.81 97.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.593 0.633 . . . . 0.0 110.582 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -60.6 -40.62 92.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.887 0.767 . . . . 0.0 110.983 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.51 -44.37 97.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.26 90.08 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.448 1.099 . . . . 0.0 111.964 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -58.29 -30.42 66.61 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.69 1.196 . . . . 0.0 111.34 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.71 87.16 0.1 Allowed Glycine 0 C--N 1.334 0.45 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -58.84 134.09 56.57 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 117.747 0.773 . . . . 0.0 110.363 175.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -145.49 -18.53 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.973 1.309 . . . . 0.0 112.717 169.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--O 1.248 0.99 0 C-N-CA 128.979 2.911 . . . . 0.0 105.161 170.217 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.632 0.254 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.12 128.08 25.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 169.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -65.81 144.08 57.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.987 0.515 . . . . 0.0 109.743 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 m -147.73 165.8 5.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 126.755 2.022 . . . . 0.0 106.26 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.46 124.57 20.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.754 0.821 . . . . 0.0 110.255 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 ttt-85 -148.8 150.01 32.33 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -140.49 162.68 34.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 169.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.91 -27.67 66.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.225 0.921 . . . . 0.0 111.146 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 m -61.08 -42.86 99.28 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.826 0.85 . . . . 0.0 110.657 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -66.69 -41.75 87.55 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 119.557 1.071 . . . . 0.0 109.729 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.25 -46.13 90.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.498 0.59 . . . . 0.0 110.306 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -59.65 -51.17 70.94 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.078 0.951 . . . . 0.0 110.348 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.55 -46.42 79.57 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.409 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 tt -61.25 -42.75 94.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 119.514 1.052 . . . . 0.0 108.947 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -61.61 -44.51 96.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.35 0.66 . . . . 0.0 111.624 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 p -91.19 -13.37 33.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.353 -0.832 . . . . 0.0 113.186 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -126.0 -30.05 3.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.717 1.144 . . . . 0.0 112.976 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.5 mt -106.95 -30.58 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 119.231 0.923 . . . . 0.0 110.032 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 35.98 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.717 1.207 . . . . 0.0 108.962 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -15.33 -49.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.617 1 C-N-CA 131.78 4.032 . . . . 0.0 118.722 -169.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -138.68 5.39 2.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.932 1.293 . . . . 0.0 111.591 -174.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.53 143.26 50.01 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.662 1.185 . . . . 0.0 110.124 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.49 -2.4 2.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.409 1.084 . . . . 0.0 112.16 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.33 147.73 45.9 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.37 1.068 . . . . 0.0 109.434 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -53.41 -36.05 61.08 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 118.193 -0.908 . . . . 0.0 113.228 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.93 -42.95 84.46 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.655 1.116 . . . . 0.0 109.527 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.88 -43.16 93.84 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.384 0.674 . . . . 0.0 109.488 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -69.08 -33.79 74.1 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.149 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.17 90.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.708 0.686 . . . . 0.0 109.8 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.5 mmt -68.41 -37.23 80.12 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.695 0.68 . . . . 0.0 111.694 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.53 -50.67 61.37 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.09 0.859 . . . . 0.0 111.126 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -53.12 -52.27 59.21 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.262 0.625 . . . . 0.0 110.768 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.78 -48.14 75.83 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.238 0.615 . . . . 0.0 111.291 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -62.93 -52.19 64.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.374 0.534 . . . . 0.0 110.209 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -34.67 73.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.569 -0.853 . . . . 0.0 110.42 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.14 -53.61 50.73 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 118.517 0.599 . . . . 0.0 109.74 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.59 0.632 . . . . 0.0 110.929 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.21 -27.33 68.98 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -89.65 -38.77 13.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.897 0.879 . . . . 0.0 111.456 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.03 122.1 11.55 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 123.586 0.754 . . . . 0.0 109.878 -174.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.79 50.64 0.86 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.555 1.942 . . . . 0.0 108.982 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -71.36 153.07 94.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 O-C-N 120.977 -1.077 . . . . 0.0 111.081 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -70.05 150.55 91.07 Favored 'Cis proline' 0 CA--C 1.538 0.714 0 CA-C-N 119.255 0.77 . . . . 0.0 110.844 -10.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -141.17 -168.15 2.55 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.282 1.433 . . . . 0.0 108.351 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptm -132.43 167.17 20.42 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 119.42 1.009 . . . . 0.0 112.033 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.52 -177.84 38.14 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-O 122.145 0.858 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.02 120.69 37.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 171.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.0 110.48 11.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.7 59.31 3.02 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.533 1.533 . . . . 0.0 108.075 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -52.91 137.68 31.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.778 1.631 . . . . 0.0 108.703 -172.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -118.41 -8.06 10.58 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.478 1.035 . . . . 0.0 111.902 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m -68.58 19.36 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.212 2.205 . . . . 0.0 115.68 -169.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -74.49 10.28 1.39 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.418 -1.426 . . . . 0.0 114.119 -170.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 65.25 -34.46 0.18 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.014 2.526 . . . . 0.0 113.702 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 p -78.8 -2.06 37.8 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.54 1.064 . . . . 0.0 111.356 169.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m 62.36 12.18 5.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.442 1.897 . . . . 0.0 113.397 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -67.52 139.61 56.98 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.254 1.022 . . . . 0.0 108.792 174.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.94 143.3 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -130.89 161.61 31.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.454 2.302 . . . . 0.0 105.121 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.12 104.03 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -103.49 117.2 33.91 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -68.22 133.34 48.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.14 146.54 25.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.166 0.587 . . . . 0.0 110.376 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.62 115.89 28.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.67 108.79 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.75 -30.39 51.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 123.216 0.606 . . . . 0.0 111.756 -169.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.34 179.65 34.3 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.199 -1.96 . . . . 0.0 108.199 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.1 mmm -64.04 149.28 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.31 12.26 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.691 0.797 . . . . 0.0 109.09 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.66 138.65 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.797 2.332 . . . . 0.0 111.885 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -58.07 -29.67 65.59 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.812 0.845 . . . . 0.0 112.01 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.66 -31.92 72.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.056 0.943 . . . . 0.0 112.129 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.92 -18.91 42.0 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.883 -0.51 . . . . 0.0 110.826 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -100.21 20.2 15.08 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.093 0.957 . . . . 0.0 112.56 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.08 -0.41 21.76 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 112.516 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -146.18 -24.01 0.44 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -154.83 136.6 14.44 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -173.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.58 128.65 36.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.384 0.993 . . . . 0.0 109.706 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -122.56 153.11 39.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 109.257 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.85 144.77 31.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.231 1.012 . . . . 0.0 108.85 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.53 140.32 39.73 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.4 140.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.44 0.696 . . . . 0.0 109.679 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.28 135.81 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.75 63.56 6.94 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.383 1.073 . . . . 0.0 111.51 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.47 -18.72 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 121.496 -0.752 . . . . 0.0 112.758 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.59 85.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.913 1.245 . . . . 0.0 113.067 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.59 -97.43 0.16 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 119.123 1.461 . . . . 0.0 110.711 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.94 -34.03 74.09 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 117.758 0.779 . . . . 0.0 112.716 -171.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 60.7 -25.47 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.055 3.342 . . . . 0.0 116.093 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -116.0 10.2 15.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.966 1.706 . . . . 0.0 111.278 -172.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -135.69 163.49 30.04 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.127 0.971 . . . . 0.0 110.653 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.09 148.05 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 110.234 -168.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -141.71 -172.03 3.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.495 2.318 . . . . 0.0 108.31 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -123.15 147.45 46.81 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.29 154.39 51.33 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.802 1.241 . . . . 0.0 109.709 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -71.76 125.0 26.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 104.786 -2.302 . . . . 0.0 104.786 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.59 -34.25 72.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.084 0.856 . . . . 0.0 109.282 170.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -54.0 -12.16 0.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 129.06 2.944 . . . . 0.0 114.417 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -126.8 15.63 7.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.258 1.023 . . . . 0.0 111.705 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.13 155.47 21.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.554 1.542 . . . . 0.0 109.245 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -121.82 119.01 30.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.15 139.17 38.99 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.6 mt -131.3 144.54 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.481 1.113 . . . . 0.0 108.644 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.25 38.07 23.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.497 1.519 . . . . 0.0 113.08 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -115.18 168.45 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.846 0.858 . . . . 0.0 110.565 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.49 151.49 44.23 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.711 0.804 . . . . 0.0 110.492 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -55.52 -42.27 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.179 0.992 . . . . 0.0 111.898 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.91 -27.61 61.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.106 0.866 . . . . 0.0 111.2 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 105' ' ' VAL . 96.5 m -71.54 -49.22 42.86 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -46.39 88.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.11 -38.33 90.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.81 97.86 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.666 1.121 . . . . 0.0 110.45 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.36 -46.11 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.485 0.714 . . . . 0.0 109.093 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.52 91.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.119 0.568 . . . . 0.0 110.346 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.76 -35.51 77.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 119.256 -0.402 . . . . 0.0 112.024 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -60.33 -47.42 86.1 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.583 0.629 . . . . 0.0 110.139 170.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.44 -45.05 95.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.692 0.397 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -62.22 -45.58 92.71 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.623 0.769 . . . . 0.0 110.758 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -57.85 -47.27 83.18 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.959 0.504 . . . . 0.0 110.559 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.23 -47.68 84.95 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.84 -31.1 72.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -68.04 -16.18 63.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.54 81.66 0.28 Allowed Glycine 0 C--N 1.335 0.522 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -175.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -47.12 131.52 12.62 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.063 0.945 . . . . 0.0 111.703 173.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -132.09 -28.11 1.76 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.831 1.252 . . . . 0.0 110.926 169.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 127.792 2.437 . . . . 0.0 106.452 178.783 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.95 -34.32 59.35 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -55.58 -11.02 0.77 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.602 1.961 . . . . 0.0 115.042 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.98 -26.79 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.759 0.824 . . . . 0.0 111.972 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -140.66 -55.26 0.51 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.128 0.876 . . . . 0.0 109.712 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 41.85 40.36 1.51 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.327 2.251 . . . . 0.0 114.509 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -148.17 127.52 13.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 -11.05 56.35 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -171.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 m -56.04 -34.54 65.97 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.141 0.882 . . . . 0.0 110.5 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.55 -53.46 57.78 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 118.718 0.69 . . . . 0.0 110.42 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -56.92 -48.24 78.71 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 110.165 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -60.49 -48.85 79.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.191 0.596 . . . . 0.0 111.144 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -68.97 -45.94 69.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.397 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.15 -40.71 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 120.631 1.56 . . . . 0.0 109.916 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.57 -33.52 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.928 1.291 . . . . 0.0 112.564 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.8 p -102.91 4.75 37.94 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.5 0.72 . . . . 0.0 112.697 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -132.36 -37.09 1.1 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.233 0.924 . . . . 0.0 113.089 -173.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.1 mt -122.16 -37.65 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.217 0.917 . . . . 0.0 111.947 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.53 23.46 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 119.007 0.821 . . . . 0.0 110.882 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG23 ' H ' ' A' ' 20' ' ' VAL . 1.8 t -56.68 -38.19 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.57 1.148 . . . . 0.0 111.689 -171.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.91 -15.18 54.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.658 0.783 . . . . 0.0 112.39 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 149.9 37.42 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.734 -0.603 . . . . 0.0 111.142 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.87 -7.43 2.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 0.0 111.106 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.34 152.39 41.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.057 1.343 . . . . 0.0 108.941 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -31.48 30.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.36 -42.61 68.24 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.219 0.918 . . . . 0.0 109.103 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -68.97 -35.19 76.44 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -59.17 -41.41 88.34 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.565 -0.709 . . . . 0.0 110.444 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.8 92.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.021 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mmt -61.82 -42.86 99.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.921 0.782 . . . . 0.0 111.215 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.6 63.3 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 118.963 0.801 . . . . 0.0 111.259 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -57.09 -49.06 77.04 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.84 0.456 . . . . 0.0 110.889 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.4 -47.75 82.87 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.044 0.538 . . . . 0.0 110.352 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -55.84 29.94 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.097 0.959 . . . . 0.0 110.522 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.24 -36.98 77.76 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.055 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.69 -51.37 59.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.205 0.457 . . . . 0.0 109.926 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.47 -38.21 83.52 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.495 0.589 . . . . 0.0 110.995 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.37 -25.19 66.68 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -93.03 -37.94 11.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.675 0.79 . . . . 0.0 111.584 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.21 121.82 11.65 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.629 0.772 . . . . 0.0 109.759 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.78 51.57 1.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.734 2.014 . . . . 0.0 108.895 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -71.07 155.3 93.44 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 121.108 -0.995 . . . . 0.0 111.426 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.94 152.96 90.69 Favored 'Cis proline' 0 CA--C 1.537 0.644 0 CA-C-N 119.306 0.788 . . . . 0.0 111.083 -10.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -141.4 -168.32 2.61 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.234 1.414 . . . . 0.0 108.526 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -135.3 169.58 17.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 119.48 1.036 . . . . 0.0 111.552 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.23 -179.58 40.76 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-O 121.773 0.651 . . . . 0.0 111.883 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -115.31 120.77 40.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -77.27 105.4 8.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 168.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -77.25 53.79 1.04 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.932 1.693 . . . . 0.0 107.313 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -47.72 112.37 0.55 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.141 1.777 . . . . 0.0 112.412 -168.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -80.91 -18.2 47.98 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.208 0.603 . . . . 0.0 111.672 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -66.57 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.677 1.991 . . . . 0.0 116.137 -169.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -67.17 172.7 4.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.13 1.332 . . . . 0.0 109.948 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.05 -46.64 88.85 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.819 -0.55 . . . . 0.0 109.7 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -85.1 172.32 11.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 109.383 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.8 m -68.94 -8.06 40.91 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.216 -0.927 . . . . 0.0 112.981 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 m -55.22 133.41 49.21 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.645 1.578 . . . . 0.0 110.492 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.4 mt -77.26 150.22 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 109.326 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -125.98 162.0 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.274 1.829 . . . . 0.0 106.173 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -130.71 105.3 7.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -169.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -114.36 118.15 33.05 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -69.93 132.32 45.78 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.79 145.96 28.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.357 0.663 . . . . 0.0 110.757 -174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -96.93 122.32 39.78 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 103.722 -2.696 . . . . 0.0 103.722 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.17 109.02 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.45 -34.77 79.07 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.154 0.581 . . . . 0.0 110.406 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.83 -176.16 33.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -173.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.0 tpt -62.67 145.48 54.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.067 0.547 . . . . 0.0 109.596 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 167.88 11.2 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.571 0.749 . . . . 0.0 111.102 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.62 150.6 5.86 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.15 2.567 . . . . 0.0 112.818 171.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.93 -33.31 64.59 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.104 0.962 . . . . 0.0 111.384 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.93 -30.57 69.92 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.239 1.016 . . . . 0.0 112.355 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -75.65 -42.67 50.75 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.0 m -78.05 15.79 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.422 1.089 . . . . 0.0 113.634 -173.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -15.88 61.89 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.772 1.229 . . . . 0.0 112.488 -177.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -142.16 -31.94 0.52 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.635 0.774 . . . . 0.0 112.898 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.79 156.79 43.82 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.312 1.045 . . . . 0.0 109.309 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -85.78 118.67 25.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.777 0.831 . . . . 0.0 109.589 -173.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -129.05 153.0 48.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.253 1.021 . . . . 0.0 109.634 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.17 145.91 32.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 124.247 1.019 . . . . 0.0 108.644 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -81.32 139.4 35.41 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.7 139.43 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.746 0.819 . . . . 0.0 110.046 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.48 135.17 44.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.5 66.23 5.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.175 0.99 . . . . 0.0 110.159 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 pt -59.54 -13.47 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 121.38 -0.825 . . . . 0.0 112.702 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.69 -10.47 65.12 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.21 -1.328 . . . . 0.0 113.246 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.48 -25.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-N 119.612 1.706 . . . . 0.0 116.127 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.26 -40.11 0.47 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.651 1.725 . . . . 0.0 111.517 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 60.51 -34.38 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.801 3.241 . . . . 0.0 115.487 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.71 0.51 57.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.254 1.421 . . . . 0.0 113.176 -169.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -137.8 164.03 29.92 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.045 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.83 148.42 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.805 1.642 . . . . 0.0 109.228 -169.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -141.47 -173.48 3.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 128.113 2.565 . . . . 0.0 107.398 -176.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.6 m -123.89 147.71 47.44 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.73 148.65 50.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.802 1.241 . . . . 0.0 109.017 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 129.34 38.61 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 169.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.1 -31.49 70.09 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -49.4 -23.19 1.39 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.349 171.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -116.22 12.89 15.56 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.979 0.809 . . . . 0.0 112.14 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.43 155.09 19.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 125.226 1.41 . . . . 0.0 109.416 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -122.23 131.65 54.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.44 140.96 32.04 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -129.35 142.42 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 125.002 1.321 . . . . 0.0 107.556 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.97 21.54 7.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.806 1.642 . . . . 0.0 114.084 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -79.68 166.31 2.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.165 0.986 . . . . 0.0 111.618 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.94 161.96 27.96 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.34 -42.43 86.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.265 0.626 . . . . 0.0 112.429 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -39.97 75.43 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.242 0.928 . . . . 0.0 110.579 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.5 m -60.1 -49.82 76.12 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.81 1.244 . . . . 0.0 110.187 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.59 -47.33 86.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.685 0.675 . . . . 0.0 109.759 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.41 -36.98 84.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.056 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.41 92.57 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.373 0.988 . . . . 0.0 110.835 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.22 -45.49 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.85 82.78 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.45 0.7 . . . . 0.0 110.806 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.04 -46.41 89.61 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.773 0.829 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.78 -44.39 96.86 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.766 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.16 -44.86 94.28 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.113 0.415 . . . . 0.0 110.331 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -63.05 -41.93 99.59 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.298 0.639 . . . . 0.0 110.6 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -63.14 -49.77 73.05 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.551 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.5 tp -66.22 -29.19 69.4 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.754 1.161 . . . . 0.0 110.817 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.958 0.903 . . . . 0.0 112.418 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -69.32 -30.32 68.36 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.829 0.852 . . . . 0.0 109.042 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.68 170.16 11.85 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 126.867 2.175 . . . . 0.0 109.753 173.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.07 -51.63 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 169.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 56.18 0.28 0.06 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.13 2.572 . . . . 0.0 116.537 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--O 1.249 1.046 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 175.048 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 ttp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.85 137.86 42.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -61.69 -21.44 64.46 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.4 -7.44 9.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.62 1.168 . . . . 0.0 112.826 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.29 68.84 0.77 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.682 1.193 . . . . 0.0 109.468 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -54.61 -46.79 73.91 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.385 1.074 . . . . 0.0 111.278 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -166.98 152.56 7.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.05 -19.43 64.38 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -50.96 -41.55 59.34 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.681 1.128 . . . . 0.0 111.225 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -63.71 -43.7 95.82 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -60.32 -50.38 73.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.411 0.685 . . . . 0.0 109.318 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.62 -50.0 71.08 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.424 0.29 . . . . 0.0 110.782 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -67.28 -41.5 85.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.902 -1.046 . . . . 0.0 111.193 -173.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 tt -61.2 -44.77 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.863 1.21 . . . . 0.0 108.699 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.03 -39.82 95.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.545 1.138 . . . . 0.0 111.605 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.5 p -94.45 -1.42 53.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -171.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -129.73 -30.17 2.08 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.231 0.923 . . . . 0.0 112.787 -171.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.7 mt -110.66 -32.96 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.624 1.102 . . . . 0.0 111.241 -171.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 11.71 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 118.683 0.674 . . . . 0.0 112.645 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.58 -35.61 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.159 0.984 . . . . 0.0 111.819 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.83 2.08 27.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.032 1.333 . . . . 0.0 112.562 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.23 159.47 42.07 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.622 1.169 . . . . 0.0 110.414 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.81 -0.7 2.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.99 151.42 49.89 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.518 1.127 . . . . 0.0 108.637 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -44.41 -40.35 5.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.413 . . . . 0.0 113.618 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.98 -46.29 36.34 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.244 0.929 . . . . 0.0 108.71 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -64.34 -36.98 85.88 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.84 0.856 . . . . 0.0 109.872 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -73.28 -34.07 65.57 Favored 'General case' 0 C--O 1.231 0.093 0 O-C-N 121.466 -0.771 . . . . 0.0 110.998 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.146 0.884 . . . . 0.0 109.502 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.63 -39.18 88.16 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.674 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.22 -52.22 45.5 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 119.471 1.032 . . . . 0.0 111.325 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -54.59 -50.58 67.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.402 0.681 . . . . 0.0 110.913 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -56.52 -47.66 78.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.163 0.585 . . . . 0.0 110.957 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.03 -52.19 64.94 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.404 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -36.75 74.6 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.004 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.39 -49.95 67.33 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.673 0.669 . . . . 0.0 109.838 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.63 -39.09 83.17 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.353 0.661 . . . . 0.0 110.971 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 83.5 m -93.96 -37.8 11.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.695 0.798 . . . . 0.0 111.671 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.58 123.18 15.4 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 109.642 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.47 51.7 1.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.362 1.865 . . . . 0.0 108.835 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -70.99 153.03 94.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 O-C-N 120.983 -1.073 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.16 150.74 91.66 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.25 0.768 . . . . 0.0 110.669 -10.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -141.09 -170.15 2.99 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.141 1.376 . . . . 0.0 108.334 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -131.72 166.9 20.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.649 1.113 . . . . 0.0 112.056 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.96 -178.56 38.92 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -114.3 122.64 47.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -75.98 105.77 7.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -84.54 50.35 1.87 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.695 1.598 . . . . 0.0 108.012 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -52.71 117.64 3.07 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 124.793 1.237 . . . . 0.0 110.577 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.45 -18.87 34.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.813 0.279 . . . . 0.0 111.503 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -60.24 115.05 3.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.272 1.029 . . . . 0.0 110.364 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -159.24 178.71 9.7 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.263 1.825 . . . . 0.0 106.811 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.05 -50.2 74.29 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -81.68 175.46 10.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.279 1.432 . . . . 0.0 109.709 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.6 m -77.56 4.18 11.87 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.077 -1.015 . . . . 0.0 113.107 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 m -62.91 133.19 54.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.207 1.403 . . . . 0.0 111.321 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.36 144.28 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -126.08 155.25 41.86 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.719 2.008 . . . . 0.0 105.581 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.37 116.54 18.43 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -123.47 122.63 38.73 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -70.95 132.76 45.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -139.87 146.95 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.0 0.52 . . . . 0.0 110.562 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.95 115.43 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.09 108.79 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.24 -30.41 54.5 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.085 0.554 . . . . 0.0 111.657 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.13 -179.62 34.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.49 149.71 48.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.344 -0.504 . . . . 0.0 110.426 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 171.15 6.91 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 123.984 0.914 . . . . 0.0 109.562 169.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.45 146.63 13.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.675 2.25 . . . . 0.0 112.254 171.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -29.14 64.72 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.208 0.603 . . . . 0.0 111.708 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 -34.31 77.57 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.706 0.802 . . . . 0.0 111.922 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.7 -40.56 72.79 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.3 15.44 0.96 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -171.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.22 -7.61 54.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.0 0.92 . . . . 0.0 112.249 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.78 -25.59 0.68 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -151.85 147.9 27.17 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -76.92 84.6 3.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -78.42 150.32 33.1 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.837 -0.539 . . . . 0.0 109.647 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 m -135.22 145.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.47 1.108 . . . . 0.0 108.771 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.52 143.64 38.27 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 169.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.16 142.28 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -169.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 135.36 54.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.6 65.51 7.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.288 1.035 . . . . 0.0 111.182 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.84 -17.98 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 121.487 -0.758 . . . . 0.0 112.573 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.84 -3.6 87.87 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.904 1.24 . . . . 0.0 113.03 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.29 -95.38 0.12 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 119.225 1.513 . . . . 0.0 111.098 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.33 -35.4 75.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.753 0.777 . . . . 0.0 112.481 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 60.34 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 130.268 3.427 . . . . 0.0 116.292 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.36 9.09 15.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.877 1.671 . . . . 0.0 111.257 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -135.27 163.39 30.08 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.914 0.886 . . . . 0.0 110.937 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.19 145.86 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.028 1.731 . . . . 0.0 109.291 -168.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -136.19 -174.67 3.75 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.208 2.203 . . . . 0.0 108.224 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 m -118.31 145.01 45.41 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 171.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.66 156.51 48.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.821 1.248 . . . . 0.0 109.25 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 128.58 33.82 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 173.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.91 -32.63 70.93 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.496 1.044 . . . . 0.0 109.569 169.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -54.3 -14.97 1.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.857 2.463 . . . . 0.0 114.198 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -123.55 15.23 9.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.131 1.373 . . . . 0.0 110.637 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -123.78 155.85 30.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 125.739 1.616 . . . . 0.0 109.509 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.25 118.72 27.45 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.96 140.14 40.36 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -130.63 142.85 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.627 1.171 . . . . 0.0 108.516 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.29 36.71 20.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.599 1.56 . . . . 0.0 113.273 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -110.46 168.71 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.832 0.853 . . . . 0.0 110.642 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.45 151.83 43.21 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.514 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.11 -42.97 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.089 0.956 . . . . 0.0 111.974 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -72.9 -27.29 61.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.271 0.941 . . . . 0.0 111.069 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 105' ' ' VAL . 92.2 m -72.52 -49.2 34.53 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -45.74 90.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -63.08 -41.64 99.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.974 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.69 90.97 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.913 1.233 . . . . 0.0 111.042 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.55 -45.67 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.92 78.97 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.365 0.53 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.87 -42.77 94.57 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.044 0.938 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -62.97 -44.96 94.63 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 123.084 0.554 . . . . 0.0 110.63 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.52 -46.89 86.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.443 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -33.9 72.23 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.736 0.698 . . . . 0.0 110.74 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -58.86 -39.16 80.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.445 1.02 . . . . 0.0 111.146 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.02 -43.66 86.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.429 -0.795 . . . . 0.0 108.896 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.748 0.819 . . . . 0.0 112.332 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.2 tpt85 -62.76 -26.95 68.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.155 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.56 -11.57 0.15 Allowed Glycine 0 CA--C 1.527 0.836 0 CA-C-O 117.709 -1.606 . . . . 0.0 115.505 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.2 t80 42.25 57.39 3.34 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.144 1.472 . . . . 0.0 112.32 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -124.63 -7.22 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.249 1.035 0 C-N-CA 125.852 1.661 . . . . 0.0 111.052 -172.875 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.45 -26.24 65.41 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.896 -0.503 . . . . 0.0 112.331 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -74.97 55.02 0.69 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.889 2.076 . . . . 0.0 111.611 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 m -65.04 -23.6 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.344 1.458 . . . . 0.0 113.003 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -66.72 152.76 44.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.06 1.344 . . . . 0.0 111.263 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -68.81 -30.91 69.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.005 -0.521 . . . . 0.0 112.274 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -160.45 144.65 14.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.043 0.937 . . . . 0.0 108.812 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -60.85 -13.01 12.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.313 1.445 . . . . 0.0 113.778 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.3 m -50.14 -33.85 20.32 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.29 1.036 . . . . 0.0 111.049 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -60.15 -47.94 83.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.892 1.224 . . . . 0.0 110.879 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.24 -43.84 69.77 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.252 0.478 . . . . 0.0 110.324 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -58.44 -50.34 74.05 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.845 0.458 . . . . 0.0 109.952 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -64.64 -50.62 66.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.577 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.13 -41.57 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.335 0.97 . . . . 0.0 110.058 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.98 -41.22 97.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.779 0.832 . . . . 0.0 111.215 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -98.9 1.49 45.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -169.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -136.91 -10.59 1.77 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.6 mm -113.52 -45.73 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 120.402 1.455 . . . . 0.0 111.34 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 pt -121.23 16.48 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.631 0.772 . . . . 0.0 113.005 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -35.46 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.573 1.149 . . . . 0.0 111.466 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.34 2.26 54.63 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.322 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.66 140.68 52.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.698 1.199 . . . . 0.0 109.665 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.62 1.85 3.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.16 0.984 . . . . 0.0 111.594 -173.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -129.61 145.49 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.698 1.199 . . . . 0.0 108.495 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -34.12 43.54 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.49 -43.77 65.96 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 119.63 1.104 . . . . 0.0 109.099 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.54 -38.43 87.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.051 0.54 . . . . 0.0 109.794 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -70.9 -32.03 68.86 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.446 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.24 96.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.95 0.795 . . . . 0.0 109.861 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -65.45 -42.78 91.99 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.246 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.31 -50.68 55.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 119.009 0.822 . . . . 0.0 111.18 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -53.83 -57.15 11.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.292 0.637 . . . . 0.0 110.834 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.2 -46.75 69.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.531 0.732 . . . . 0.0 111.315 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.11 -54.25 46.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.815 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -36.13 70.85 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.612 -175.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.62 -54.04 33.18 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.68 -38.6 88.39 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.138 0.881 . . . . 0.0 111.413 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.24 -26.47 68.8 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.2 m -87.55 -30.04 20.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.973 0.909 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.02 123.7 17.45 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.1 0.864 . . . . 0.0 108.689 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.67 48.86 1.11 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.893 1.277 . . . . 0.0 109.137 172.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -64.52 154.35 84.53 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.277 1.031 . . . . 0.0 111.38 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.69 154.18 95.66 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 119.22 0.757 . . . . 0.0 111.021 -10.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -144.82 -167.88 2.78 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.24 1.416 . . . . 0.0 108.224 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.38 167.39 20.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.486 1.039 . . . . 0.0 112.283 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.38 -178.46 37.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.412 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -116.8 121.7 42.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.59 107.9 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.56 49.17 1.53 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.919 1.688 . . . . 0.0 108.996 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.53 119.2 5.69 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.83 1.252 . . . . 0.0 109.839 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.88 134.79 55.8 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 172.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -62.87 163.22 9.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.416 1.086 . . . . 0.0 111.895 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.582 ' H ' ' HD2' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.13 102.11 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.334 1.854 . . . . 0.0 110.417 -173.223 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 43.48 37.88 1.61 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.462 1.505 . . . . 0.0 112.508 -174.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.73 149.17 43.29 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.08 0.952 . . . . 0.0 109.496 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -70.43 -17.03 63.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 112.91 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -58.61 163.53 3.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.941 1.696 . . . . 0.0 110.436 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.9 mt -130.0 141.43 46.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.323 1.049 . . . . 0.0 108.419 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -106.62 144.39 33.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.43 92.71 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -96.47 119.79 35.6 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -70.39 132.33 45.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -139.18 146.49 25.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 123.131 0.573 . . . . 0.0 110.98 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.38 132.39 41.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 104.079 -2.564 . . . . 0.0 104.079 168.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.63 112.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.62 -30.18 41.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.89 0.876 . . . . 0.0 111.714 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.85 174.18 23.01 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.218 -2.353 . . . . 0.0 107.218 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.3 mtp -65.41 151.84 45.34 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 117.919 0.86 . . . . 0.0 111.087 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -70.49 176.03 2.16 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.372 1.469 . . . . 0.0 111.297 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 92.5 Cg_exo -46.84 147.76 4.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.311 2.674 . . . . 0.0 112.808 169.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.01 -40.45 67.02 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.82 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.74 -28.03 66.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.609 0.764 . . . . 0.0 112.033 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.7 -45.43 36.9 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.355 -0.84 . . . . 0.0 109.488 170.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.0 m -70.95 6.36 1.59 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.49 1.116 . . . . 0.0 113.274 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.58 -7.76 59.63 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.179 2.192 . . . . 0.0 112.404 -172.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -137.63 -30.62 0.82 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.147 0.979 . . . . 0.0 112.574 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.63 159.3 36.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -86.0 129.39 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.875 1.216 . . . . 0.0 109.0 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -132.39 157.05 45.53 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.128 0.971 . . . . 0.0 110.076 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.45 145.71 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 124.184 0.994 . . . . 0.0 109.583 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.76 140.73 42.54 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.13 144.11 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -169.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.8 138.64 49.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -84.07 61.93 6.76 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 124.924 1.29 . . . . 0.0 110.322 -170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -58.0 -17.5 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.198 -0.939 . . . . 0.0 112.836 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.36 -11.37 78.15 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.43 -1.206 . . . . 0.0 113.377 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.11 -44.58 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.447 1.623 . . . . 0.0 114.324 -170.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -161.79 73.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.536 1.935 . . . . 0.0 106.449 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.01 -30.9 6.67 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.954 1.702 . . . . 0.0 112.383 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.88 -15.13 63.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.913 1.285 . . . . 0.0 113.39 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -120.51 156.42 31.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.395 0.998 . . . . 0.0 111.774 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.15 144.69 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.471 1.508 . . . . 0.0 109.088 -168.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.92 -170.96 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.23 2.212 . . . . 0.0 107.953 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.6 m -118.63 144.85 45.88 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 169.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 152.7 51.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.664 1.186 . . . . 0.0 109.222 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -72.34 124.98 26.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.96 -35.67 79.16 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -53.52 -13.17 0.56 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.953 2.901 . . . . 0.0 114.218 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.45 15.59 8.91 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.467 1.107 . . . . 0.0 111.667 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -119.58 154.1 22.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.947 1.299 . . . . 0.0 109.547 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -121.75 118.59 29.43 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.9 139.38 39.23 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.5 mt -129.81 141.84 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.315 1.046 . . . . 0.0 108.654 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.48 38.27 25.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.539 1.536 . . . . 0.0 113.013 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -114.0 167.27 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.824 0.85 . . . . 0.0 110.826 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.51 152.4 45.28 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.921 0.889 . . . . 0.0 110.75 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.53 -40.61 68.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.579 1.152 . . . . 0.0 112.185 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.7 -31.17 63.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.334 0.97 . . . . 0.0 111.037 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG21 ' A' ' 105' ' ' VAL . 97.1 m -68.98 -50.71 46.61 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -45.77 85.63 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.72 -38.57 91.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.635 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.74 96.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.019 1.281 . . . . 0.0 110.484 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.27 -45.97 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.0 94.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.196 0.598 . . . . 0.0 110.355 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.09 -35.65 78.52 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.682 0.393 . . . . 0.0 111.472 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -61.02 -48.28 82.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.322 0.51 . . . . 0.0 110.493 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.36 -42.05 98.07 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -62.9 -46.06 89.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.203 1.001 . . . . 0.0 110.87 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -57.35 -46.13 83.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.593 0.633 . . . . 0.0 110.128 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.21 -32.07 73.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.49 0.586 . . . . 0.0 110.481 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.2 72.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.346 0.658 . . . . 0.0 111.629 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.6 ttp-105 -67.73 -25.61 65.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.338 1.055 . . . . 0.0 112.401 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 175.89 38.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -149.43 51.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.291 1.043 . . . . 0.0 109.864 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.93 -32.29 65.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 128.271 2.628 . . . . 0.0 106.274 -179.695 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.81 0.12 2.9 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.102 0.961 . . . . 0.0 112.013 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -77.35 34.56 0.17 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.526 1.93 . . . . 0.0 113.868 -169.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.42 -14.25 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 110.517 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.57 -12.05 2.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.118 1.367 . . . . 0.0 112.544 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -53.57 -21.67 7.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.079 0.952 . . . . 0.0 112.884 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -128.15 78.03 1.81 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.427 1.091 . . . . 0.0 108.822 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.82 -20.33 22.05 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.272 1.029 . . . . 0.0 112.414 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -50.53 -46.3 57.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.117 0.871 . . . . 0.0 110.519 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -67.65 -38.01 83.22 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.658 -0.687 . . . . 0.0 110.458 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.27 -47.26 83.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.359 0.664 . . . . 0.0 109.325 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -63.95 -47.64 79.63 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.602 0.361 . . . . 0.0 110.591 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -67.23 -43.97 80.65 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 118.066 -0.968 . . . . 0.0 111.416 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -61.63 -43.62 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 120.238 1.381 . . . . 0.0 109.157 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -57.53 -39.03 75.71 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.687 1.195 . . . . 0.0 111.684 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.8 p -100.44 -3.33 31.15 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -169.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -132.52 -25.48 1.92 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.511 1.051 . . . . 0.0 113.347 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.3 mt -121.21 -31.95 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.24 0.927 . . . . 0.0 110.792 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 pt -124.0 9.54 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.861 0.865 . . . . 0.0 111.255 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.05 -35.28 64.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.031 0.932 . . . . 0.0 111.522 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.58 2.26 22.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 112.415 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.83 138.0 50.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.172 1.389 . . . . 0.0 109.281 -169.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -126.91 -6.58 6.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.747 1.219 . . . . 0.0 111.379 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.93 148.58 51.81 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.777 1.231 . . . . 0.0 108.87 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -54.8 -33.19 61.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.88 -42.29 90.5 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.688 1.131 . . . . 0.0 109.696 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -66.75 -38.44 86.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.131 0.572 . . . . 0.0 109.615 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -70.68 -29.65 66.02 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.643 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.94 94.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.018 0.826 . . . . 0.0 109.342 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.39 -39.3 85.58 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.707 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.0 -52.44 46.78 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 119.445 1.02 . . . . 0.0 111.179 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.27 -53.58 48.76 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.412 0.685 . . . . 0.0 111.206 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -55.85 -48.08 76.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.18 0.592 . . . . 0.0 111.047 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.68 -51.76 67.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.35 0.523 . . . . 0.0 110.053 -173.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -36.39 71.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.565 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.29 -51.7 62.24 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.722 0.692 . . . . 0.0 109.812 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.32 -39.78 84.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.633 0.651 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.3 -25.41 67.61 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -94.46 -35.61 12.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.727 0.811 . . . . 0.0 111.955 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.5 121.19 10.9 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.918 0.781 . . . . 0.0 108.919 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.51 48.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.933 1.293 . . . . 0.0 109.447 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -63.99 155.44 78.19 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 0.0 111.568 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.98 153.72 91.04 Favored 'Cis proline' 0 CA--C 1.538 0.68 0 CA-C-N 119.325 0.795 . . . . 0.0 111.185 -9.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -143.44 -171.69 3.55 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.086 1.354 . . . . 0.0 108.663 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ptm -129.81 167.04 18.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.546 1.066 . . . . 0.0 111.798 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.79 -176.43 37.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-O 122.182 0.879 . . . . 0.0 111.706 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -118.44 120.65 38.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.4 ' CZ2' ' HE2' ' A' ' 50' ' ' LYS . 4.4 t90 -77.43 108.99 10.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -82.14 48.49 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.16 1.784 . . . . 0.0 108.539 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HE2' ' CZ2' ' A' ' 48' ' ' TRP . 40.2 ttmt -55.54 122.92 12.38 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 124.138 0.975 . . . . 0.0 110.496 -168.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -80.95 38.6 0.46 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.716 0.806 . . . . 0.0 111.895 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m 43.2 -129.94 0.72 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.763 1.625 . . . . 0.0 111.715 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -122.38 -138.88 0.31 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -52.83 -26.76 15.52 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.506 1.048 . . . . 0.0 111.717 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -51.71 -26.85 10.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.281 1.833 . . . . 0.0 113.599 171.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m 58.54 1.56 0.18 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.278 2.231 . . . . 0.0 116.691 169.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.5 m -80.82 141.75 34.37 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mt -77.32 144.01 12.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.981 0.896 . . . . 0.0 109.483 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -127.69 154.63 45.08 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.059 2.143 . . . . 0.0 105.47 169.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.73 107.1 9.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -111.52 120.62 42.75 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -71.02 132.97 45.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.75 155.44 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.261 0.624 . . . . 0.0 111.379 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -107.91 115.75 30.71 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.36 114.14 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.1 mt -79.98 -28.24 39.54 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.249 0.62 . . . . 0.0 112.211 -169.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.37 177.7 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.2 mtp -64.4 149.58 48.09 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.673 . . . . 0.0 110.358 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 168.97 9.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.701 0.801 . . . . 0.0 109.311 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -47.99 141.53 16.99 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 170.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.88 -28.98 64.66 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.94 -31.25 70.79 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.396 1.078 . . . . 0.0 112.478 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.08 -32.02 21.61 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.887 -0.508 . . . . 0.0 110.119 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.29 18.64 0.2 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.61 -13.71 61.85 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.203 1.401 . . . . 0.0 112.434 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.47 -23.54 0.98 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.98 152.2 32.16 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -78.62 81.25 4.95 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -75.99 150.35 37.44 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.891 0.476 . . . . 0.0 110.221 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.54 142.06 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.306 1.042 . . . . 0.0 108.988 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.51 144.29 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -150.57 139.7 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -169.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.76 135.24 50.3 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -84.82 71.18 10.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.975 0.91 . . . . 0.0 109.921 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.6 pt -60.38 -9.78 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.97 -15.3 49.26 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 118.5 -1.166 . . . . 0.0 112.917 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -17.29 0.22 Allowed Glycine 0 CA--C 1.529 0.936 0 CA-C-N 119.254 1.527 . . . . 0.0 115.935 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -137.64 -44.53 0.54 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.596 1.698 . . . . 0.0 110.97 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.06 -26.74 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.384 3.074 . . . . 0.0 115.495 -171.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.52 7.33 22.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.81 1.644 . . . . 0.0 111.811 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -134.73 162.07 33.38 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.934 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.87 148.37 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.831 1.653 . . . . 0.0 109.848 -168.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -138.63 -170.44 2.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.689 2.395 . . . . 0.0 108.284 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.5 m -123.38 146.87 47.63 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.71 159.69 40.84 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.649 1.179 . . . . 0.0 110.042 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -81.19 127.25 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.88 -31.98 69.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.877 1.217 . . . . 0.0 109.992 171.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -51.93 -16.13 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.362 2.665 . . . . 0.0 114.517 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -124.21 13.85 8.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 111.556 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.08 156.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 125.66 1.584 . . . . 0.0 109.349 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.0 119.23 28.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 140.59 38.23 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.9 mt -130.87 144.11 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 124.81 1.244 . . . . 0.0 108.426 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.7 37.9 21.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.567 1.547 . . . . 0.0 113.27 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -111.81 168.92 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.72 152.0 45.27 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.994 0.918 . . . . 0.0 110.446 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.7 -42.43 75.23 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.194 0.998 . . . . 0.0 112.023 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -73.26 -28.89 62.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.207 0.912 . . . . 0.0 111.008 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 93.2 m -70.24 -50.55 38.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -44.78 90.58 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.07 -39.6 94.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.392 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.52 97.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.691 1.132 . . . . 0.0 110.602 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.37 -45.78 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.22 90.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.068 0.547 . . . . 0.0 110.069 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.55 -37.33 82.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.126 0.571 . . . . 0.0 111.882 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -59.43 -46.66 88.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.722 0.692 . . . . 0.0 110.266 170.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.07 -40.78 97.02 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.14 -0.35 . . . . 0.0 110.256 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.61 -43.36 97.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.478 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -60.1 -41.68 93.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.275 0.943 . . . . 0.0 110.836 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.64 -43.36 93.88 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.39 -39.25 71.29 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.763 1.225 . . . . 0.0 112.555 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -56.97 -32.34 65.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.552 1.541 . . . . 0.0 111.336 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.03 79.74 0.04 OUTLIER Glycine 0 C--N 1.334 0.46 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -55.97 135.49 52.4 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.419 0.609 . . . . 0.0 111.004 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -134.92 -26.29 1.34 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.857 1.263 . . . . 0.0 111.282 169.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.5 p90 . . . . . 0 C--O 1.249 1.031 0 C-N-CA 128.583 2.753 . . . . 0.0 106.013 -176.226 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.58 30.28 6.37 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.505 1.522 . . . . 0.0 113.222 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -77.46 41.48 0.32 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.937 2.095 . . . . 0.0 112.723 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.04 28.98 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 126.332 1.853 . . . . 0.0 109.751 -172.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -58.35 138.46 56.47 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -73.21 -56.66 4.79 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -165.92 149.2 7.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.52 -30.18 62.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.128 0.876 . . . . 0.0 111.698 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 m -54.76 -45.11 74.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.836 0.855 . . . . 0.0 111.051 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -64.77 -43.07 94.46 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.311 0.96 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -66.18 -43.5 86.71 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.46 -50.27 73.44 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.907 -0.496 . . . . 0.0 110.638 173.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -65.56 -41.72 92.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.603 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 tt -62.9 -43.35 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 120.179 1.354 . . . . 0.0 108.933 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -60.49 -37.43 81.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.038 0.535 . . . . 0.0 111.569 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -100.97 -1.31 34.75 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -136.12 -19.49 1.5 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.603 1.092 . . . . 0.0 113.351 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -120.73 -33.75 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.776 1.171 . . . . 0.0 111.582 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.67 13.18 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 118.956 0.798 . . . . 0.0 112.049 173.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.69 -35.54 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.7 0.8 . . . . 0.0 111.864 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.32 -0.51 25.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.207 1.403 . . . . 0.0 112.66 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.5 150.95 49.91 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.958 1.303 . . . . 0.0 110.114 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.88 5.0 2.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.712 0.805 . . . . 0.0 112.372 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.79 148.12 48.61 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.972 1.309 . . . . 0.0 108.023 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.52 -36.36 55.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.54 -43.09 73.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.435 1.016 . . . . 0.0 109.429 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -68.04 -38.93 83.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.38 0.672 . . . . 0.0 109.582 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.43 -29.33 64.76 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.795 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.2 91.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.969 0.804 . . . . 0.0 109.626 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mmt -67.18 -38.01 84.66 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.593 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.74 46.83 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 119.226 0.921 . . . . 0.0 111.295 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -53.34 -53.54 49.54 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.454 0.702 . . . . 0.0 110.972 171.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.141 0.577 . . . . 0.0 111.223 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.83 -50.88 64.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.49 0.586 . . . . 0.0 110.387 -171.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.18 76.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.182 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.23 -51.9 64.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.427 0.558 . . . . 0.0 109.896 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.24 -40.1 84.87 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.534 0.606 . . . . 0.0 111.016 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.41 -25.18 67.43 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -94.03 -36.55 12.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.89 0.876 . . . . 0.0 111.908 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.66 120.6 9.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.792 . . . . 0.0 109.105 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.92 49.22 1.33 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.918 1.287 . . . . 0.0 109.242 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -63.22 155.43 73.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 124.215 1.006 . . . . 0.0 111.423 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.76 156.14 92.92 Favored 'Cis proline' 0 CA--C 1.538 0.701 0 CA-C-N 119.384 0.816 . . . . 0.0 111.481 -9.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -145.24 -170.11 3.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.049 1.34 . . . . 0.0 109.106 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ptm -133.65 167.88 19.69 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.24 0.927 . . . . 0.0 111.601 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.17 -178.32 38.86 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 121.904 0.724 . . . . 0.0 112.349 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.2 123.54 49.14 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 169.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -76.22 102.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -77.55 52.56 0.99 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.846 1.659 . . . . 0.0 109.453 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -54.2 115.34 2.01 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 123.63 0.772 . . . . 0.0 110.627 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -69.72 124.52 24.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.8 m -64.44 139.29 58.75 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.068 0.547 . . . . 0.0 111.212 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 13.01 -91.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 130.029 3.332 . . . . 0.0 112.933 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -130.64 -0.24 4.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.277 1.431 . . . . 0.0 110.63 170.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -73.34 -23.42 60.23 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.355 1.462 . . . . 0.0 111.052 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.7 m 65.28 0.49 1.34 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.933 2.093 . . . . 0.0 114.908 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -56.97 130.56 46.56 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.9 mt -81.37 138.48 19.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 122.111 0.958 . . . . 0.0 108.907 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -112.98 152.82 28.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 169.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -131.05 115.91 17.07 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -169.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -129.42 126.48 38.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -71.94 134.24 45.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.03 155.63 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.328 0.651 . . . . 0.0 111.096 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -108.51 135.77 49.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.18 115.09 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -169.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.66 -26.2 32.36 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.149 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.99 -178.79 31.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -63.46 149.7 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.644 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.13 169.65 9.5 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.52 139.39 17.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.55 2.167 . . . . 0.0 112.0 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.16 -28.29 64.6 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.196 0.599 . . . . 0.0 111.196 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.79 -32.87 69.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.752 1.221 . . . . 0.0 112.424 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.12 -30.39 21.12 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.903 0.481 . . . . 0.0 110.236 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.33 20.67 0.39 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.155 0.982 . . . . 0.0 113.22 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -8.62 55.83 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.526 1.531 . . . . 0.0 113.348 -173.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -149.44 -21.56 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.79 143.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -173.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.97 128.6 33.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.685 0.675 . . . . 0.0 109.434 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -125.78 153.09 44.53 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.362 1.065 . . . . 0.0 109.35 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.36 144.86 32.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 124.227 1.011 . . . . 0.0 109.398 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.61 138.71 43.14 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 169.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.48 129.07 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -169.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.05 132.13 43.86 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -88.76 71.57 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.36 0.6 . . . . 0.0 110.69 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 pt -60.84 -5.7 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.24 -10.21 49.05 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.765 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.57 -16.02 0.08 OUTLIER Glycine 0 CA--C 1.532 1.11 0 CA-C-N 119.532 1.666 . . . . 0.0 116.252 -170.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -138.34 -38.97 0.53 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.023 1.912 . . . . 0.0 111.631 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.01 -24.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.25 3.02 . . . . 0.0 115.968 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -120.18 12.23 11.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.95 1.7 . . . . 0.0 111.165 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -138.03 161.24 37.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.457 1.103 . . . . 0.0 110.628 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.75 149.67 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.572 1.549 . . . . 0.0 110.842 -168.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -142.09 -167.22 2.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.94 2.496 . . . . 0.0 108.047 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -123.15 147.69 46.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.82 155.57 48.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.447 1.099 . . . . 0.0 109.656 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -74.8 125.65 29.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.76 -2.311 . . . . 0.0 104.76 171.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.01 -35.08 74.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.209 0.913 . . . . 0.0 109.403 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -52.24 -11.19 0.16 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.837 3.255 . . . . 0.0 114.52 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -128.14 13.05 6.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.438 1.095 . . . . 0.0 112.079 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.32 157.41 22.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.95 1.7 . . . . 0.0 108.901 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -125.06 135.9 53.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.71 142.54 27.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.5 mt -129.82 143.23 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.998 1.319 . . . . 0.0 108.246 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.51 36.71 21.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.523 1.529 . . . . 0.0 113.162 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 HG21 ' A' ' 109' ' ' THR . 4.4 p -110.51 169.96 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.991 0.916 . . . . 0.0 110.421 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.39 150.94 47.46 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.453 0.701 . . . . 0.0 110.286 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.13 -41.93 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.086 0.954 . . . . 0.0 111.859 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -73.41 -28.29 61.92 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.247 0.931 . . . . 0.0 111.074 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.483 HG21 HG21 ' A' ' 105' ' ' VAL . 94.2 m -70.17 -50.23 42.36 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.51 -45.63 88.39 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.21 -39.81 95.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.406 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.3 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.591 1.087 . . . . 0.0 110.536 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.26 -46.55 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.94 93.02 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.026 0.531 . . . . 0.0 110.409 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.12 -37.32 85.44 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.541 0.736 . . . . 0.0 111.539 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -62.26 -46.58 88.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.695 0.68 . . . . 0.0 110.669 171.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.65 -42.41 99.58 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.999 -0.438 . . . . 0.0 110.124 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -62.46 -48.73 78.35 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.244 0.475 . . . . 0.0 109.848 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -52.58 -45.18 66.38 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.352 0.661 . . . . 0.0 110.948 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -43.92 93.97 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.33 -24.62 66.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 123.161 0.584 . . . . 0.0 112.459 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -64.65 -24.3 67.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.502 1.046 . . . . 0.0 111.869 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 134.33 84.3 0.21 Allowed Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -50.59 126.15 14.77 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.488 1.115 . . . . 0.0 110.806 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -143.22 -25.81 0.59 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.365 1.066 . . . . 0.0 112.398 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 29.6 p90 . . . . . 0 C--O 1.256 1.398 0 C-N-CA 127.233 2.213 . . . . 0.0 106.246 169.607 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.45 -10.96 59.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 54.87 31.31 15.48 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.95 1.3 . . . . 0.0 113.428 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -53.94 -33.16 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.039 1.335 . . . . 0.0 111.411 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -142.58 144.48 32.89 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -142.78 8.86 1.73 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -170.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.55 110.53 7.92 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.7 -20.32 47.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.153 0.981 . . . . 0.0 112.194 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -55.87 -37.98 69.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.091 0.86 . . . . 0.0 111.057 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -68.2 -42.28 80.11 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.778 1.172 . . . . 0.0 110.088 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.61 -42.86 95.26 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -59.51 -51.85 68.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.674 0.79 . . . . 0.0 110.34 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.02 -49.52 69.85 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.452 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 tt -60.13 -40.33 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 119.377 0.99 . . . . 0.0 110.095 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -61.09 -41.97 97.64 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.851 0.86 . . . . 0.0 111.172 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.1 p -97.14 6.55 48.31 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -169.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -131.94 -29.3 1.68 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.027 0.83 . . . . 0.0 112.898 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mm -109.8 -32.53 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 119.366 0.985 . . . . 0.0 111.61 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 pt -132.62 22.2 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 124.09 0.956 . . . . 0.0 112.624 -167.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -55.88 -35.03 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.537 0.735 . . . . 0.0 112.306 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.9 2.97 56.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.714 1.206 . . . . 0.0 111.929 -172.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.05 141.41 50.73 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.517 1.127 . . . . 0.0 109.965 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.65 6.93 2.51 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.995 0.918 . . . . 0.0 112.11 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -136.03 147.58 47.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.119 1.368 . . . . 0.0 107.911 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -33.5 46.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.99 -44.12 70.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.527 1.058 . . . . 0.0 109.248 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -69.37 -38.26 77.97 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.163 0.585 . . . . 0.0 109.693 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.5 -28.95 64.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.509 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.88 95.46 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.183 0.901 . . . . 0.0 109.364 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -67.3 -39.93 86.0 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.804 0.729 . . . . 0.0 111.844 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.4 50.58 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -53.69 -53.13 56.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.435 0.694 . . . . 0.0 110.671 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.99 -51.43 67.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.592 0.757 . . . . 0.0 111.292 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -70.64 -41.49 72.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.904 -169.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.89 1.223 . . . . 0.0 110.372 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.72 -53.95 43.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.467 0.576 . . . . 0.0 109.569 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.25 -40.44 85.98 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.695 0.68 . . . . 0.0 111.207 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.53 -27.19 68.79 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -86.75 -38.26 17.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.651 0.78 . . . . 0.0 111.173 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.4 mt -56.96 121.73 10.64 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.52 0.728 . . . . 0.0 109.852 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.67 52.11 0.97 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.587 1.955 . . . . 0.0 108.702 170.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -69.67 153.31 95.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 121.015 -1.053 . . . . 0.0 110.913 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.47 152.83 94.44 Favored 'Cis proline' 0 CA--C 1.538 0.723 0 CA-C-N 119.34 0.8 . . . . 0.0 110.711 -10.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.88 -170.78 3.1 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.839 1.256 . . . . 0.0 108.627 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 ptm -131.73 166.02 22.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 119.508 1.049 . . . . 0.0 111.594 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.0 -178.01 37.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 121.872 0.707 . . . . 0.0 112.346 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -117.73 121.09 39.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -78.29 107.73 11.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -81.11 53.31 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.603 1.561 . . . . 0.0 108.473 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.29 133.26 55.94 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.608 0.763 . . . . 0.0 109.476 -169.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -79.13 50.51 1.06 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.834 0.743 . . . . 0.0 111.354 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 m 44.31 -108.27 0.13 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.576 1.95 . . . . 0.0 111.345 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -127.15 40.74 3.65 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.814 1.246 . . . . 0.0 108.543 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.8 mttp 56.55 50.22 13.29 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.004 1.322 . . . . 0.0 109.066 -169.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -122.89 32.98 5.54 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.99 1.716 . . . . 0.0 110.251 -170.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 m 53.01 31.52 11.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.237 1.415 . . . . 0.0 113.087 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.4 m -143.51 154.23 43.42 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.904 1.682 . . . . 0.0 106.492 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 mt -122.04 142.63 37.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -114.43 151.25 33.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 105.732 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -126.91 89.36 2.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -169.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -94.25 118.42 31.55 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 m -69.68 133.49 47.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.45 153.94 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 111.813 -171.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -104.54 133.15 49.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -109.6 111.37 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.6 -27.39 55.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.065 0.546 . . . . 0.0 111.768 -169.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.41 179.37 29.64 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -173.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.0 mtp -64.0 151.68 42.19 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.372 -0.487 . . . . 0.0 110.393 170.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 173.91 2.65 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.607 0.763 . . . . 0.0 109.15 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.32 144.19 31.59 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.133 1.889 . . . . 0.0 111.724 171.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -29.71 64.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.066 0.546 . . . . 0.0 111.062 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.67 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.84 0.856 . . . . 0.0 112.41 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -75.81 -42.58 49.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.73 24.68 0.37 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 114.297 -169.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -8.65 50.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.91 1.284 . . . . 0.0 111.984 173.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -138.57 -29.92 0.78 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.067 0.947 . . . . 0.0 112.963 -169.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -154.72 151.2 28.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.6 mmt -80.18 82.73 6.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -78.09 151.91 33.16 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.637 -0.665 . . . . 0.0 110.603 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -134.9 144.36 34.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.629 1.172 . . . . 0.0 109.042 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.03 139.34 40.02 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.6 p -145.36 139.26 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -169.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.25 137.55 52.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.624 1.17 . . . . 0.0 108.815 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -86.32 68.78 10.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.503 1.121 . . . . 0.0 110.626 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 pt -59.09 -16.84 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.696 -0.627 . . . . 0.0 112.412 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.72 -5.0 88.57 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.895 1.236 . . . . 0.0 113.133 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.42 -90.04 0.07 OUTLIER Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.459 1.63 . . . . 0.0 111.525 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.3 -38.51 77.21 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.051 0.926 . . . . 0.0 112.11 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 59.7 -24.51 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 130.357 3.463 . . . . 0.0 116.353 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.14 14.27 9.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.236 1.814 . . . . 0.0 110.806 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -134.9 161.32 35.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.851 1.26 . . . . 0.0 110.08 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.51 151.25 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.776 1.23 . . . . 0.0 110.522 -168.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.97 -169.42 3.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.858 2.463 . . . . 0.0 108.264 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 m -122.79 147.0 47.03 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 160.91 37.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.662 1.185 . . . . 0.0 109.865 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' H ' ' HD2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.82 126.68 31.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 171.193 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.39 -32.36 68.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.41 1.005 . . . . 0.0 109.095 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -52.79 -13.93 0.48 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.94 2.896 . . . . 0.0 114.331 172.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -127.34 12.83 7.07 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.619 1.168 . . . . 0.0 112.024 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mt -120.09 157.77 22.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 126.209 1.804 . . . . 0.0 108.822 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -124.78 134.91 52.61 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.27 141.88 30.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.12 140.39 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.854 1.262 . . . . 0.0 108.159 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 53.25 35.34 19.81 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.67 1.588 . . . . 0.0 113.474 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG21 HG21 ' A' ' 109' ' ' THR . 3.4 p -105.67 168.08 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.79 0.836 . . . . 0.0 110.392 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 156.76 34.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.512 0.725 . . . . 0.0 110.779 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.6 -40.78 84.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.39 0.676 . . . . 0.0 112.539 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.61 -40.79 76.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.274 0.943 . . . . 0.0 110.486 -176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.501 HG21 HG21 ' A' ' 105' ' ' VAL . 61.6 m -60.76 -51.03 71.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.5 1.12 . . . . 0.0 109.963 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.17 -45.14 94.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.262 0.483 . . . . 0.0 109.781 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.75 -37.39 87.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.717 0.69 . . . . 0.0 111.548 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.87 96.0 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.186 0.903 . . . . 0.0 110.117 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.68 -47.24 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.69 0.796 . . . . 0.0 109.142 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.37 92.22 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.419 0.687 . . . . 0.0 110.217 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.79 -32.65 72.53 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 118.13 -0.938 . . . . 0.0 112.039 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -62.45 -46.53 88.1 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.031 1.287 . . . . 0.0 110.297 170.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.8 -46.16 89.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.44 -44.96 95.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.132 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -55.52 -40.89 72.4 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.955 1.252 . . . . 0.0 110.935 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.46 -39.01 86.02 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.34 51.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.162 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -63.81 -32.82 74.45 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 120.79 -1.194 . . . . 0.0 110.536 171.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.57 113.57 0.52 Allowed Glycine 0 CA--C 1.519 0.33 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.7 60.57 1.29 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.006 1.322 . . . . 0.0 109.843 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -70.57 -32.91 70.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.176 -0.953 . . . . 0.0 110.399 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.1 p90 . . . . . 0 C--O 1.248 0.988 0 C-N-CA 127.963 2.505 . . . . 0.0 106.475 179.266 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.58 0.229 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.41 74.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.224 0.61 . . . . 0.0 112.231 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -64.67 134.01 53.36 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.055 0.542 . . . . 0.0 111.297 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.79 -0.6 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.505 1.922 . . . . 0.0 111.407 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.07 146.41 54.22 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.311 1.445 . . . . 0.0 109.714 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -144.17 -24.73 0.54 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -158.05 142.63 16.23 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.338 0.972 . . . . 0.0 108.484 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.71 -21.61 66.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.257 1.023 . . . . 0.0 112.954 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -54.38 -38.98 66.77 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 119.12 0.873 . . . . 0.0 111.844 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -61.24 -46.91 88.46 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.175 0.59 . . . . 0.0 109.848 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -43.4 84.71 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -60.62 -49.74 76.32 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.158 0.583 . . . . 0.0 110.751 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.65 -46.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 121.604 -0.685 . . . . 0.0 110.56 -173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tt -62.47 -43.21 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.84 -37.3 86.27 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.714 0.806 . . . . 0.0 111.814 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 p -97.13 -6.99 33.69 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -135.06 -20.94 1.66 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.759 1.163 . . . . 0.0 114.042 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -115.18 -33.88 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 120.173 1.351 . . . . 0.0 111.723 -169.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 17.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 119.545 1.066 . . . . 0.0 112.113 173.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.32 -39.08 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.71 0.804 . . . . 0.0 112.352 -175.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.6 -14.38 56.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.217 1.007 . . . . 0.0 112.478 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.32 162.9 28.01 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.471 0.709 . . . . 0.0 111.997 -173.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.04 -30.7 0.79 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.616 1.166 . . . . 0.0 111.187 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.27 155.37 42.02 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.246 1.418 . . . . 0.0 108.813 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -28.35 55.25 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.736 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.8 -41.81 86.99 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 120.091 1.314 . . . . 0.0 108.971 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.44 -37.76 80.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.307 0.643 . . . . 0.0 109.944 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.06 -39.15 89.87 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.551 -0.718 . . . . 0.0 110.768 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.6 94.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.141 -0.456 . . . . 0.0 109.783 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -63.35 -42.11 98.89 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.627 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.08 -52.22 50.6 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.299 0.954 . . . . 0.0 111.434 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -52.67 -54.73 29.41 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.523 0.729 . . . . 0.0 110.599 171.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -56.28 -46.06 79.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.41 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -61.98 -52.71 62.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.908 0.776 . . . . 0.0 110.005 -173.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -37.39 74.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.206 -177.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.02 -51.7 55.95 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.24 0.616 . . . . 0.0 110.144 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.4 -39.13 89.59 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.424 0.69 . . . . 0.0 110.924 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.95 -27.63 68.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.5 m -83.06 -43.6 16.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.402 0.681 . . . . 0.0 110.87 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.97 119.61 5.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.587 1.155 . . . . 0.0 110.104 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.49 41.79 0.41 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.75 0.82 . . . . 0.0 111.268 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -58.4 154.21 34.17 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.032 0.933 . . . . 0.0 112.012 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -70.0 157.94 92.22 Favored 'Cis proline' 0 CA--C 1.537 0.663 0 CA-C-N 119.562 0.879 . . . . 0.0 111.85 -6.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -147.79 -165.92 2.39 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.579 1.552 . . . . 0.0 108.132 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.2 ptm -134.42 170.46 15.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 119.302 0.956 . . . . 0.0 112.31 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.15 -177.63 38.94 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-O 122.134 0.852 . . . . 0.0 111.708 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -117.15 118.64 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.32 109.2 11.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -81.17 47.89 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.75 1.62 . . . . 0.0 108.472 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.09 116.7 2.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.896 0.878 . . . . 0.0 111.475 -168.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.9 120.43 11.92 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 p -108.7 -18.91 13.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -168.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -147.15 159.31 43.77 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.699 1.136 . . . . 0.0 109.006 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.73 -19.66 62.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.975 0.91 . . . . 0.0 112.51 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -66.52 3.48 0.96 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.071 1.748 . . . . 0.0 113.126 169.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m 61.0 25.04 15.11 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.664 1.586 . . . . 0.0 112.016 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 m -62.64 153.93 30.76 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mt -128.94 140.89 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.335 0.654 . . . . 0.0 109.289 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.82 106.85 17.57 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 169.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -82.32 94.79 7.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -97.93 118.09 33.71 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -69.11 132.39 46.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.81 146.88 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.253 0.621 . . . . 0.0 110.916 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.74 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 103.583 -2.747 . . . . 0.0 103.583 168.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.9 107.74 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.19 -30.59 63.64 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.26 0.624 . . . . 0.0 111.009 -169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 -178.07 33.2 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.97 154.36 34.32 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.347 0.594 . . . . 0.0 110.197 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 174.32 2.27 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.329 1.452 . . . . 0.0 111.566 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.61 153.35 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.62 2.88 . . . . 0.0 113.715 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.47 -39.82 61.6 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.663 1.185 . . . . 0.0 110.74 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.49 -31.85 67.59 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.039 0.936 . . . . 0.0 111.816 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.48 -44.52 57.77 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.5 m -70.82 1.14 5.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.874 0.87 . . . . 0.0 113.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -83.65 -9.04 59.15 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.055 1.742 . . . . 0.0 111.983 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.34 -24.96 0.95 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -157.47 156.79 32.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.205 1.402 . . . . 0.0 107.424 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -82.98 121.8 27.47 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 119.459 1.027 . . . . 0.0 109.185 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.08 155.16 46.63 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.2 1.0 . . . . 0.0 109.397 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.41 144.82 31.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.476 1.11 . . . . 0.0 108.83 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.24 137.96 35.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 m -142.54 138.81 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.405 0.682 . . . . 0.0 110.481 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.02 135.5 48.47 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.45 65.89 6.78 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 124.37 1.068 . . . . 0.0 110.477 -173.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 pt -58.77 -14.29 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.378 -0.826 . . . . 0.0 112.801 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.77 64.47 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.234 -1.314 . . . . 0.0 113.202 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.56 -25.78 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.555 1.677 . . . . 0.0 115.904 -169.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.45 -40.2 0.46 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.626 1.713 . . . . 0.0 111.607 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.4 t70 60.21 -32.89 0.07 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.683 3.193 . . . . 0.0 115.402 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.83 2.39 56.21 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.518 1.527 . . . . 0.0 113.203 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -138.2 163.43 31.75 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.238 -0.914 . . . . 0.0 110.407 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.79 151.35 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 125.553 1.541 . . . . 0.0 109.988 -169.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -144.25 -173.53 4.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.642 2.377 . . . . 0.0 107.6 -172.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.9 m -123.47 147.82 46.8 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.89 150.17 49.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.976 1.311 . . . . 0.0 109.133 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 132.62 43.84 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.24 -30.16 69.23 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 m -53.57 -20.82 5.54 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.804 2.041 . . . . 0.0 114.055 173.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -114.52 14.72 17.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.792 0.724 . . . . 0.0 111.738 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mt -121.65 153.99 25.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 124.81 1.244 . . . . 0.0 109.781 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.06 119.12 27.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 139.12 38.53 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.58 147.07 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.762 1.225 . . . . 0.0 108.114 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.96 39.98 24.14 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.332 1.453 . . . . 0.0 112.779 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.473 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -118.46 166.44 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.232 1.013 . . . . 0.0 109.685 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.64 151.22 47.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 122.957 0.503 . . . . 0.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.67 -40.4 69.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.144 0.978 . . . . 0.0 111.871 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.36 -30.05 63.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.028 0.831 . . . . 0.0 111.24 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 105' ' ' VAL . 65.7 m -70.14 -48.87 55.59 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -46.47 86.92 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.33 -35.96 82.58 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.505 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.36 87.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.571 1.078 . . . . 0.0 110.489 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.94 -42.78 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.23 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.502 0.592 . . . . 0.0 110.542 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.27 -37.0 77.68 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.649 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -60.87 -45.09 95.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.737 0.699 . . . . 0.0 109.955 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.27 -41.27 98.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.389 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.45 -47.47 83.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.04 0.836 . . . . 0.0 110.44 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -56.73 -44.82 82.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.439 0.563 . . . . 0.0 111.17 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.74 -42.55 77.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.73 97.38 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.035 0.934 . . . . 0.0 111.672 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -60.23 -32.3 71.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.494 0.718 . . . . 0.0 110.458 173.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 147.69 135.45 2.64 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.044 0.831 . . . . 0.0 111.443 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -68.11 104.61 1.83 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 168.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -139.66 -2.98 1.51 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 . . . . . 0 C--O 1.246 0.896 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 169.027 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 120.516 0.198 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.91 139.27 56.45 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -134.91 7.35 3.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.886 0.874 . . . . 0.0 112.547 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 m -54.95 106.67 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 125.669 1.588 . . . . 0.0 109.854 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 51.92 31.82 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.389 1.876 . . . . 0.0 112.577 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -77.22 73.27 3.79 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.116 1.366 . . . . 0.0 109.334 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.98 142.55 29.91 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.304 1.442 . . . . 0.0 108.228 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.34 -28.57 68.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.45 94.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.153 0.888 . . . . 0.0 109.151 177.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.71 -37.57 76.61 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.718 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -50.21 73.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.613 0.642 . . . . 0.0 110.309 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -65.87 -48.34 71.89 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.547 0.339 . . . . 0.0 110.501 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -63.56 -48.95 75.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.624 0.647 . . . . 0.0 111.496 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tt -61.02 -41.65 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -61.52 -54.13 47.31 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -73.95 -1.59 20.4 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -117.63 -24.87 7.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.001 -0.999 . . . . 0.0 112.874 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -122.08 -32.81 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 120.097 1.317 . . . . 0.0 112.318 -169.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.46 41.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 122.325 1.06 . . . . 0.0 110.375 -175.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -53.05 -45.14 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 127.564 2.346 . . . . 0.0 112.581 -169.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -129.48 -18.66 3.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 112.089 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 139.32 58.76 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 169.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.63 4.59 2.85 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -170.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.14 147.08 52.57 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.086 1.354 . . . . 0.0 107.815 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.81 31.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -176.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.86 -45.73 56.71 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 120.057 1.299 . . . . 0.0 109.435 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.92 -37.4 85.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.018 0.527 . . . . 0.0 109.89 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -72.51 -32.24 65.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.281 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.086 0.857 . . . . 0.0 109.264 170.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.3 mmt -62.91 -43.4 98.9 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.504 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.27 -52.15 51.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 119.657 1.117 . . . . 0.0 111.494 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -56.87 -48.27 78.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.019 0.528 . . . . 0.0 110.949 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.67 -46.42 84.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.046 0.538 . . . . 0.0 111.097 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.32 -52.77 63.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 118.597 0.635 . . . . 0.0 110.249 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -37.72 77.43 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.006 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.08 -51.0 62.14 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.659 0.663 . . . . 0.0 110.037 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.02 -37.35 82.26 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.412 0.551 . . . . 0.0 110.933 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.41 -25.18 65.81 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 m -94.41 -33.36 13.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.703 0.801 . . . . 0.0 111.538 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.71 117.77 5.77 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.4 53.21 2.43 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.715 0.806 . . . . 0.0 109.023 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -60.73 157.64 37.33 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.784 1.234 . . . . 0.0 111.83 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.19 155.24 91.77 Favored 'Cis proline' 0 C--N 1.349 0.602 0 CA-C-N 119.341 0.8 . . . . 0.0 111.501 -8.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.91 -168.74 2.85 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.111 1.364 . . . . 0.0 108.615 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -136.09 168.89 18.53 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.428 1.013 . . . . 0.0 111.943 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.68 -177.32 39.01 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-O 122.127 0.849 . . . . 0.0 111.484 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -116.48 121.47 41.93 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -75.59 107.27 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 169.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.51 52.86 2.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.759 1.623 . . . . 0.0 107.586 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -52.14 117.83 3.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.367 1.467 . . . . 0.0 109.932 -168.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -68.03 169.22 10.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.415 0.626 . . . . 0.0 110.065 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -43.1 145.57 0.5 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 128.134 2.573 . . . . 0.0 114.597 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -80.11 -60.98 2.13 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.991 0.916 . . . . 0.0 108.593 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -154.56 47.71 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.11 2.564 . . . . 0.0 104.475 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -136.65 -160.83 1.09 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.448 2.299 . . . . 0.0 108.574 -168.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -138.9 51.26 1.81 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.752 1.221 . . . . 0.0 108.048 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -144.76 121.12 10.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.835 0.854 . . . . 0.0 109.127 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.1 mt -72.8 146.61 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 169.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -116.52 155.5 28.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.073 1.749 . . . . 0.0 106.397 169.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.12 106.1 8.38 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -113.0 119.09 36.7 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -69.06 132.01 45.94 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.09 145.99 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.17 0.588 . . . . 0.0 110.822 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -96.8 130.7 44.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 168.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.25 114.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.96 -29.12 35.41 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.013 0.525 . . . . 0.0 111.68 -169.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.38 178.34 30.42 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.9 mtp -67.77 152.05 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.288 -0.537 . . . . 0.0 110.799 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 168.75 20.13 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 124.483 1.113 . . . . 0.0 111.557 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.08 156.67 7.16 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.682 2.922 . . . . 0.0 114.683 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -46.1 -37.3 6.69 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.585 1.954 . . . . 0.0 111.923 170.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.52 -19.54 57.36 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.205 1.002 . . . . 0.0 113.427 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -122.38 -34.09 3.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.171 0.988 . . . . 0.0 110.465 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.63 -1.48 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 175.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.36 -9.8 58.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.423 1.489 . . . . 0.0 112.354 171.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.32 -28.2 1.51 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.774 1.17 . . . . 0.0 113.615 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -154.32 154.99 34.3 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.574 1.079 . . . . 0.0 109.66 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -80.29 78.16 6.99 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.956 0.902 . . . . 0.0 108.905 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -82.39 153.68 25.6 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.309 0.643 . . . . 0.0 110.163 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.01 145.96 30.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 124.898 1.279 . . . . 0.0 108.695 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.69 140.02 34.58 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.72 143.88 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.385 0.674 . . . . 0.0 110.394 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.37 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -81.72 65.81 7.02 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 111.104 -171.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 pt -58.69 -17.76 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 121.546 -0.721 . . . . 0.0 112.515 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.37 -4.18 88.12 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.908 1.242 . . . . 0.0 113.046 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.99 -96.69 0.13 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 119.185 1.493 . . . . 0.0 111.14 -174.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -60.93 -34.98 75.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 117.632 0.716 . . . . 0.0 112.611 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.23 -26.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.362 3.465 . . . . 0.0 116.661 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.24 10.77 16.05 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.815 1.646 . . . . 0.0 111.385 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.54 164.48 28.62 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.321 1.048 . . . . 0.0 109.834 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.39 148.14 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.409 1.484 . . . . 0.0 109.648 -169.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -143.9 -170.64 3.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.589 2.356 . . . . 0.0 107.849 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.1 m -125.84 147.48 49.43 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.09 158.99 43.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.08 1.352 . . . . 0.0 109.706 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -80.71 126.27 31.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.65 -34.49 71.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.506 1.048 . . . . 0.0 109.752 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -52.63 -16.99 1.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.03 2.532 . . . . 0.0 114.346 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.79 12.95 9.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.488 1.115 . . . . 0.0 111.153 -173.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.52 154.18 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 125.677 1.591 . . . . 0.0 109.34 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.32 118.25 30.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.48 139.55 38.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.24 139.8 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.737 1.215 . . . . 0.0 107.909 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.9 t70 58.23 21.11 7.79 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.711 1.604 . . . . 0.0 113.79 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -75.67 163.73 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.269 1.028 . . . . 0.0 111.962 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.45 157.31 38.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.485 169.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.69 -43.91 80.98 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 112.059 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.38 -29.03 62.35 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.27 0.941 . . . . 0.0 110.766 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.9 m -68.07 -50.86 52.48 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.92 -46.65 84.69 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.593 0.633 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.4 -37.05 85.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.065 0.546 . . . . 0.0 111.104 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.0 86.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.025 0.83 . . . . 0.0 110.493 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.61 -46.57 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.34 91.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.306 0.643 . . . . 0.0 110.444 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.86 -37.32 84.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.771 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -61.56 -46.13 91.2 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.446 0.567 . . . . 0.0 110.502 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -44.1 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.043 0.383 . . . . 0.0 109.988 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.58 -42.18 98.33 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.15 0.58 . . . . 0.0 110.789 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.84 -45.76 91.39 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.947 0.794 . . . . 0.0 110.578 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.29 -37.97 86.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.842 0.747 . . . . 0.0 109.783 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.16 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.896 . . . . 0.0 112.039 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -59.35 -35.01 73.07 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.11 0.964 . . . . 0.0 110.058 171.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.96 146.08 4.35 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.683 1.135 . . . . 0.0 111.718 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.71 77.28 1.55 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -133.09 49.32 2.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.826 1.251 . . . . 0.0 109.605 -169.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.125 169.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttm . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.36 4.06 25.45 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -67.35 -14.49 62.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.544 1.138 . . . . 0.0 113.661 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.1 m -83.12 -175.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 124.472 1.109 . . . . 0.0 108.113 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.89 126.86 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 123.52 13.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.42 150.98 23.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.22 -30.86 62.91 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 112.072 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -46.1 84.82 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.302 0.955 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -62.48 -48.66 78.63 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.21 -53.78 47.86 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.96 0.904 . . . . 0.0 111.511 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -65.03 -47.88 75.85 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.565 0.621 . . . . 0.0 110.331 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mmm-85 -63.05 -42.93 99.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.471 0.578 . . . . 0.0 110.75 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.42 -41.72 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 118.932 0.787 . . . . 0.0 109.72 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.18 -38.05 89.64 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.317 0.647 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.0 p -95.48 -8.16 36.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.138 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.87 -17.57 1.42 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -116.69 -34.79 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 120.115 1.325 . . . . 0.0 111.806 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.34 18.49 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.445 1.02 . . . . 0.0 111.691 171.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.64 -36.59 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.721 0.808 . . . . 0.0 111.75 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.89 2.76 48.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 -175.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.87 151.36 41.8 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.405 1.082 . . . . 0.0 111.501 -169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -143.47 -29.49 0.52 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.1 0.96 . . . . 0.0 111.944 169.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.09 149.09 26.45 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.258 0.936 . . . . 0.0 109.935 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -52.04 -38.64 57.71 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.64 -40.98 80.02 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.201 0.91 . . . . 0.0 109.273 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.984 0.514 . . . . 0.0 109.831 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -64.8 -41.42 95.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.081 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.64 98.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.329 0.513 . . . . 0.0 109.731 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mmt -63.93 -41.47 97.63 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.926 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.9 -51.83 55.87 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.387 0.994 . . . . 0.0 111.217 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -54.26 -51.59 64.08 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.152 0.581 . . . . 0.0 110.677 172.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.75 -46.85 81.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.585 0.63 . . . . 0.0 111.588 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -61.46 -51.99 66.39 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.75 0.704 . . . . 0.0 110.028 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.27 -37.86 74.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.224 -0.99 . . . . 0.0 110.136 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.81 -52.02 62.11 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.748 0.704 . . . . 0.0 110.019 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.08 -38.06 81.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.309 0.644 . . . . 0.0 111.079 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.91 -25.49 64.61 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -93.51 -37.25 12.02 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.864 0.865 . . . . 0.0 111.491 -174.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.36 116.27 3.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -81.82 51.8 1.8 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.647 0.737 . . . . 0.0 109.048 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -62.43 156.7 60.57 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 124.516 1.126 . . . . 0.0 111.587 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.91 154.62 90.99 Favored 'Cis proline' 0 CA--C 1.537 0.649 0 CA-C-N 119.322 0.793 . . . . 0.0 111.31 -9.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -144.24 -170.46 3.36 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.013 1.325 . . . . 0.0 108.427 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptm -131.37 167.15 19.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 119.387 0.994 . . . . 0.0 112.041 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.55 -175.34 36.7 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-O 122.198 0.888 . . . . 0.0 111.446 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -116.35 119.65 36.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 169.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.18 110.09 11.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -81.64 52.87 1.99 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.407 1.483 . . . . 0.0 107.633 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -55.71 125.66 22.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.217 0.607 . . . . 0.0 109.755 -169.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -78.36 60.82 2.66 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.599 0.759 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p 29.99 -96.0 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.066 2.946 . . . . 0.0 113.922 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 46.92 2.43 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.242 1.817 . . . . 0.0 108.678 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 71.22 -10.97 0.73 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 127.988 2.515 . . . . 0.0 113.14 -175.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -57.88 170.79 0.57 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.812 1.645 . . . . 0.0 111.784 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -63.73 -23.15 67.25 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.143 0.977 . . . . 0.0 112.569 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 149.91 44.11 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.239 1.015 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mt -128.46 139.77 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -111.78 101.22 9.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.64 105.53 12.86 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -107.03 124.8 50.16 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -70.23 132.1 45.22 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.0 152.55 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 121.122 0.487 . . . . 0.0 111.346 -172.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -100.54 132.67 45.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -105.43 112.15 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.55 -30.43 46.88 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 111.866 -169.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.58 -178.97 31.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.991 -2.044 . . . . 0.0 107.991 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.9 mmm -64.68 153.2 40.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.413 0.625 . . . . 0.0 110.645 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.11 173.48 2.62 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.448 1.499 . . . . 0.0 111.139 171.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.25 152.7 3.45 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.475 2.784 . . . . 0.0 113.734 170.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.49 -34.87 64.96 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.687 1.195 . . . . 0.0 111.39 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.48 -33.2 75.37 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.517 0.727 . . . . 0.0 111.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.99 -45.11 28.5 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.94 -2.94 13.91 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.96 -11.1 59.82 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.392 1.477 . . . . 0.0 112.366 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -24.14 1.68 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -157.68 155.65 30.35 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.407 1.003 . . . . 0.0 108.664 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.62 112.87 18.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -123.84 152.29 42.47 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 109.02 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.73 144.75 32.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.46 1.104 . . . . 0.0 109.291 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.59 140.23 42.53 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.8 141.29 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.15 137.53 53.54 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.329 1.052 . . . . 0.0 108.753 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.72 64.95 8.78 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 111.17 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.84 -21.47 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.391 0.677 . . . . 0.0 112.745 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.68 -3.69 88.02 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.238 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -92.64 0.1 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 119.202 1.501 . . . . 0.0 111.063 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -59.39 -39.17 82.49 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.956 0.878 . . . . 0.0 112.122 -173.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t70 58.9 -26.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 130.32 3.448 . . . . 0.0 116.397 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -115.17 9.34 15.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.728 1.611 . . . . 0.0 111.428 -171.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -135.33 162.86 31.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.844 0.858 . . . . 0.0 110.789 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.15 149.0 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 125.534 1.534 . . . . 0.0 108.656 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -140.99 -170.09 2.97 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.57 2.348 . . . . 0.0 108.239 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -123.04 146.5 47.61 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.39 152.46 51.92 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 124.599 1.16 . . . . 0.0 109.424 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 129.75 38.23 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 169.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.66 -30.22 68.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.164 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -50.17 -20.42 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.334 2.654 . . . . 0.0 114.543 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -119.16 13.33 12.87 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.598 0.759 . . . . 0.0 111.989 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.04 154.64 20.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 125.312 1.445 . . . . 0.0 109.394 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.92 118.39 25.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.71 37.58 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.7 mt -131.04 144.79 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.624 1.17 . . . . 0.0 108.63 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 51.66 39.83 26.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.454 1.502 . . . . 0.0 112.849 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -117.98 165.21 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.826 0.85 . . . . 0.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 152.84 44.78 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.918 0.887 . . . . 0.0 110.79 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.82 -40.39 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.966 1.307 . . . . 0.0 112.36 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.1 -34.63 66.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.666 1.121 . . . . 0.0 111.029 -176.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 105' ' ' VAL . 99.9 m -67.97 -49.61 60.69 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.17 -43.18 96.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.167 0.587 . . . . 0.0 110.086 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.88 -42.47 89.59 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.71 91.98 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.179 0.445 . . . . 0.0 110.07 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.95 -45.4 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.47 -47.69 83.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.668 0.787 . . . . 0.0 109.865 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.86 -22.85 59.6 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -64.3 -47.77 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.153 1.342 . . . . 0.0 109.282 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.21 -44.19 97.14 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -59.26 -53.86 53.41 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.234 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -48.82 -42.1 35.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.084 1.354 . . . . 0.0 112.353 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.8 -50.99 71.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.95 -37.16 72.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.427 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -60.74 -30.02 69.74 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 128.009 2.523 . . . . 0.0 111.203 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 142.35 78.49 0.05 OUTLIER Glycine 0 C--N 1.338 0.651 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.16 106.51 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.283 1.033 . . . . 0.0 110.406 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.79 -54.22 4.83 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 118.867 -0.587 . . . . 0.0 112.041 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 10.6 p90 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.599 -172.895 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.03 71.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.035 -1.04 . . . . 0.0 111.927 176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -55.56 -13.17 1.43 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.699 2.0 . . . . 0.0 115.708 -173.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.31 -38.38 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 119.521 1.055 . . . . 0.0 110.819 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -155.37 59.89 0.63 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.836 1.254 . . . . 0.0 108.958 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -67.24 -23.01 65.66 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.146 -0.971 . . . . 0.0 111.973 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.9 130.37 46.44 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.11 -12.53 61.55 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -55.73 -48.22 75.58 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 120.049 1.295 . . . . 0.0 110.89 -175.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -64.72 -34.87 79.34 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.64 1.564 . . . . 0.0 112.058 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.05 -45.94 75.88 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.664 0.666 . . . . 0.0 110.095 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -60.87 -47.27 87.13 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.472 0.709 . . . . 0.0 110.274 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -70.48 -45.61 65.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.805 -1.093 . . . . 0.0 110.337 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 tt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 119.918 1.235 . . . . 0.0 109.754 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.275 1.03 . . . . 0.0 112.275 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.9 p -107.8 -2.02 20.35 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -173.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.57 -21.49 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.307 0.958 . . . . 0.0 113.442 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -126.9 -63.92 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.949 1.25 . . . . 0.0 110.11 -175.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.8 pt -91.85 22.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 119.306 0.957 . . . . 0.0 111.576 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.9 -38.29 51.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.712 1.605 . . . . 0.0 112.039 -170.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.78 2.4 46.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.243 1.017 . . . . 0.0 111.787 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.11 140.48 39.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.221 1.008 . . . . 0.0 109.85 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.76 -0.46 3.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.881 0.873 . . . . 0.0 112.189 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -138.93 151.81 47.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.896 1.278 . . . . 0.0 108.671 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -33.41 61.52 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.53 -42.14 75.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.489 1.04 . . . . 0.0 108.968 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.79 -36.41 80.4 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.735 -0.603 . . . . 0.0 110.065 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -64.58 -39.86 94.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.392 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.67 96.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.048 0.84 . . . . 0.0 109.887 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 mmt -64.98 -40.19 94.6 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.818 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.16 -50.56 66.36 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -53.85 -54.02 44.31 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 110.666 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.45 -47.22 82.4 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.157 0.583 . . . . 0.0 110.533 -176.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -58.41 -55.59 33.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.804 0.842 . . . . 0.0 110.366 -172.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -36.34 69.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.854 -0.739 . . . . 0.0 110.151 -176.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.44 -51.24 64.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.788 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.62 -38.06 83.5 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.914 0.779 . . . . 0.0 111.039 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.31 -24.25 66.51 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -95.32 -35.46 11.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.173 0.989 . . . . 0.0 111.822 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.93 121.17 10.51 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -81.33 48.76 1.19 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.996 1.318 . . . . 0.0 109.403 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -64.35 154.72 82.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 111.583 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.58 152.57 92.0 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.235 0.763 . . . . 0.0 111.009 -9.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.3 -171.62 3.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.11 1.364 . . . . 0.0 108.619 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptm -130.17 167.92 17.62 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.563 1.074 . . . . 0.0 111.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.97 -176.54 38.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-O 121.932 0.74 . . . . 0.0 111.711 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -118.45 119.71 35.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.01 109.28 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -80.04 52.51 1.54 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.11 1.364 . . . . 0.0 109.469 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -56.66 124.78 19.55 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.057 0.943 . . . . 0.0 109.903 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -91.56 -18.6 23.84 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.277 0.631 . . . . 0.0 111.19 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -63.62 114.83 4.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.592 1.157 . . . . 0.0 109.552 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -160.7 -175.2 4.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.964 1.705 . . . . 0.0 106.803 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -63.43 -12.76 33.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 111.584 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 p -137.37 173.52 11.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.961 2.505 . . . . 0.0 107.223 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 -1.79 16.38 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.033 -1.042 . . . . 0.0 113.305 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m -57.26 133.07 54.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mm -63.89 140.41 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -126.6 150.05 49.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 169.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.28 101.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -169.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -103.28 123.04 46.03 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -69.1 132.77 47.11 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.49 153.38 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 122.756 0.423 . . . . 0.0 110.996 -172.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.83 119.02 38.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -89.56 115.09 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.12 -28.01 29.75 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.2 178.22 32.03 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.778 -2.129 . . . . 0.0 107.778 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.2 mtp -65.59 151.88 45.42 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.998 -0.707 . . . . 0.0 110.704 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.29 171.54 4.77 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.023 1.329 . . . . 0.0 111.087 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.74 152.1 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.354 2.703 . . . . 0.0 113.624 170.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.93 -35.28 64.04 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.095 1.358 . . . . 0.0 111.441 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.96 -29.18 64.0 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.968 0.907 . . . . 0.0 112.225 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.96 -50.23 36.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 171.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.1 m -71.87 7.15 1.67 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.428 1.491 . . . . 0.0 114.478 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -13.24 61.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.044 1.737 . . . . 0.0 111.945 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -146.11 -23.95 0.45 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -169.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.41 152.31 25.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -84.55 120.69 26.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -127.09 154.56 44.56 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.328 1.051 . . . . 0.0 108.999 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -136.76 144.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.828 0.851 . . . . 0.0 109.425 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.87 142.51 44.09 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.92 141.35 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -169.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.16 136.11 53.46 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -86.34 65.73 9.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.006 0.923 . . . . 0.0 111.095 -171.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.3 pt -57.06 -21.58 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.05 -4.54 88.35 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.886 1.231 . . . . 0.0 113.098 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.76 -93.1 0.11 Allowed Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.149 1.474 . . . . 0.0 111.079 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -60.73 -37.32 81.35 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.81 0.805 . . . . 0.0 112.215 -172.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 59.52 -26.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.392 3.477 . . . . 0.0 116.603 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.29 9.31 15.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.703 1.601 . . . . 0.0 111.306 -172.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -135.82 163.59 29.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.85 147.19 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 126.01 1.724 . . . . 0.0 109.03 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -139.55 -168.35 2.46 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.358 2.263 . . . . 0.0 108.415 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.7 m -122.72 146.06 47.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 153.71 47.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 124.673 1.189 . . . . 0.0 109.712 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -73.39 128.17 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.74 -33.96 72.33 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.274 0.943 . . . . 0.0 109.961 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -54.04 -17.21 2.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 114.441 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.97 11.96 15.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.924 0.89 . . . . 0.0 111.708 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -120.33 153.92 23.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.567 1.547 . . . . 0.0 109.449 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.36 118.78 32.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 139.39 40.62 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.58 143.13 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.755 1.222 . . . . 0.0 108.366 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.58 36.02 19.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.641 1.576 . . . . 0.0 113.186 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.535 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -108.76 168.84 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.899 0.88 . . . . 0.0 110.59 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.15 151.71 46.36 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 110.417 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.47 -41.87 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.245 1.018 . . . . 0.0 111.906 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.65 -28.78 61.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.078 0.854 . . . . 0.0 111.086 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 105' ' ' VAL . 97.2 m -69.8 -50.6 41.42 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -45.6 88.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.14 -37.85 88.96 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.543 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.73 95.13 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.445 1.02 . . . . 0.0 110.377 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -68.01 -43.88 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.8 94.38 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.069 0.547 . . . . 0.0 110.359 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.02 -35.76 80.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.471 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -61.13 -46.48 90.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.967 0.803 . . . . 0.0 110.565 170.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.68 -45.61 92.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.061 -0.399 . . . . 0.0 109.971 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.05 -38.93 92.43 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.817 0.447 . . . . 0.0 111.0 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.92 -45.66 91.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 119.352 0.978 . . . . 0.0 110.596 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.43 -42.78 95.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.35 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.534 0.734 . . . . 0.0 111.72 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -63.85 -26.67 68.72 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.175 0.99 . . . . 0.0 111.936 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.26 128.69 2.05 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.908 0.766 . . . . 0.0 111.392 170.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -74.65 79.25 2.01 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.291 1.036 . . . . 0.0 108.489 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.43 -26.01 4.68 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.719 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.865 1.666 . . . . 0.0 111.45 -170.875 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.61 74.25 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.009 -0.432 . . . . 0.0 111.574 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -70.41 63.22 0.25 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.289 1.836 . . . . 0.0 111.538 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.38 -22.58 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 111.266 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.87 151.4 39.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.843 1.657 . . . . 0.0 107.446 169.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -133.03 -1.79 3.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 0.0 111.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.73 87.71 5.23 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.24 -15.45 10.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.178 0.991 . . . . 0.0 112.593 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 m -55.68 -34.6 65.18 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.291 0.95 . . . . 0.0 110.991 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -63.47 -46.83 84.39 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.493 1.042 . . . . 0.0 110.955 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.11 -43.85 94.08 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.526 0.73 . . . . 0.0 109.408 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -58.18 9.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.45 0.7 . . . . 0.0 110.024 172.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -67.92 -36.08 79.56 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.238 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 tt -63.99 -40.31 88.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 119.861 1.21 . . . . 0.0 109.186 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.05 -46.25 85.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.006 0.523 . . . . 0.0 111.312 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.7 p -91.65 -3.74 55.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -136.8 -21.95 1.25 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.977 1.262 . . . . 0.0 114.2 -175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -115.68 -33.05 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 120.18 1.354 . . . . 0.0 111.775 -169.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.46 24.35 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.237 0.926 . . . . 0.0 111.119 -175.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -47.78 -36.48 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.705 2.002 . . . . 0.0 115.746 -169.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.92 2.04 12.72 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.975 0.91 . . . . 0.0 111.525 -171.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 143.52 36.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.352 0.661 . . . . 0.0 110.297 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.94 -19.41 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.432 1.493 . . . . 0.0 110.565 171.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -115.28 153.26 31.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.412 1.085 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -46.25 -38.85 9.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.41 1.484 . . . . 0.0 112.813 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.06 -39.58 72.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.876 0.762 . . . . 0.0 109.38 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.09 -41.13 74.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -61.45 -40.51 94.74 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.055 173.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.16 96.91 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.898 -0.573 . . . . 0.0 110.535 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.18 -43.17 92.53 Favored 'General case' 0 C--N 1.337 0.06 0 CA-C-N 118.822 0.737 . . . . 0.0 111.417 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.49 -54.12 36.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.211 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -52.42 -56.4 15.28 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.476 0.71 . . . . 0.0 110.43 172.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -53.99 -48.5 70.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.56 0.744 . . . . 0.0 111.523 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.06 -51.08 68.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.097 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -38.01 77.92 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.389 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.66 -53.75 30.62 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -172.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.76 -38.47 88.13 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.98 0.809 . . . . 0.0 111.532 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.28 -27.6 69.45 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -85.38 -32.18 22.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.856 0.863 . . . . 0.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.2 122.86 14.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.053 0.842 . . . . 0.0 109.1 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -81.31 47.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.937 1.295 . . . . 0.0 109.327 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -67.07 156.98 86.45 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.587 1.155 . . . . 0.0 112.061 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -64.98 155.34 76.52 Favored 'Cis proline' 0 C--N 1.351 0.678 0 CA-C-N 119.42 0.829 . . . . 0.0 111.558 -10.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.7 -169.36 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.964 1.305 . . . . 0.0 108.459 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptm -130.97 169.47 15.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 122.067 0.937 . . . . 0.0 111.692 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.44 -177.42 38.95 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.98 124.78 51.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 169.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.55 104.8 7.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 169.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -85.02 52.45 2.44 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.761 1.624 . . . . 0.0 108.495 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -55.92 114.5 1.94 Allowed 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.949 0.9 . . . . 0.0 109.401 -169.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -67.24 117.36 9.15 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 172.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 m -64.49 -44.69 90.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -168.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.75 -174.96 5.1 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.328 1.451 . . . . 0.0 107.994 -170.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.28 -35.26 69.56 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.5 0.72 . . . . 0.0 111.106 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -60.71 165.74 3.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.772 1.229 . . . . 0.0 111.351 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -68.17 -7.15 27.65 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m -61.39 145.02 53.01 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.311 1.044 . . . . 0.0 111.409 -173.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.66 144.51 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 C-N-CA 125.3 1.44 . . . . 0.0 107.294 175.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.77 149.51 31.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 169.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.13 115.44 16.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -128.49 126.2 39.98 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.4 m -72.99 135.01 44.9 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.23 157.42 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.479 0.712 . . . . 0.0 111.104 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.98 118.13 35.63 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.29 119.72 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -86.64 -21.32 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -169.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 179.09 23.42 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 107.31 -2.316 . . . . 0.0 107.31 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -61.93 151.18 35.53 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 169.82 4.13 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.769 0.828 . . . . 0.0 109.855 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -50.51 152.58 8.74 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.396 2.064 . . . . 0.0 112.126 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.58 -28.82 65.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.639 0.376 . . . . 0.0 111.146 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.48 -34.17 73.65 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.712 0.805 . . . . 0.0 111.891 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.31 -43.14 17.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.941 -0.474 . . . . 0.0 110.027 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.3 m -77.31 14.63 0.9 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.64 -10.01 59.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.752 1.221 . . . . 0.0 112.446 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -134.0 -24.73 1.65 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.526 0.73 . . . . 0.0 112.941 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -160.59 161.65 32.61 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -80.54 117.98 21.73 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -125.83 152.87 44.9 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.325 1.05 . . . . 0.0 109.486 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.24 141.55 45.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.919 0.888 . . . . 0.0 109.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.73 141.65 39.18 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.42 130.53 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.86 133.73 41.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -89.81 70.38 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.912 0.485 . . . . 0.0 110.968 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.85 -13.86 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 -31.64 11.13 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.229 0.918 . . . . 0.0 112.113 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.86 -20.81 3.35 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.399 -1.223 . . . . 0.0 115.243 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -139.49 -41.94 0.45 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.612 1.706 . . . . 0.0 112.128 -175.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.49 -27.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.338 3.055 . . . . 0.0 115.399 -170.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -107.42 5.91 27.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 111.979 -172.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -138.25 162.81 33.35 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.679 0.791 . . . . 0.0 111.264 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.0 p -135.36 149.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.319 1.847 . . . . 0.0 110.115 -169.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -141.93 -172.23 3.52 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.262 2.225 . . . . 0.0 108.203 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -122.63 148.11 45.64 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 170.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 156.09 49.29 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.441 1.096 . . . . 0.0 110.047 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 132.2 44.14 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 173.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.49 -34.16 73.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.994 0.815 . . . . 0.0 110.035 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -56.96 -15.48 5.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.0 2.12 . . . . 0.0 114.335 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -118.72 13.78 13.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.296 1.038 . . . . 0.0 111.379 -169.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -124.69 155.02 32.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 125.705 1.602 . . . . 0.0 109.173 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -124.26 119.12 28.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.79 138.64 38.3 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.4 mt -131.37 147.14 32.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 108.426 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.79 40.31 24.24 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.538 1.535 . . . . 0.0 112.77 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 109' ' ' THR . 4.0 p -118.05 168.15 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 110.483 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.21 151.71 46.4 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.592 0.757 . . . . 0.0 110.358 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.85 -41.85 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.245 1.018 . . . . 0.0 111.802 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -73.62 -29.07 62.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.103 0.865 . . . . 0.0 111.169 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.557 HG21 HG21 ' A' ' 105' ' ' VAL . 97.6 m -69.48 -50.8 41.96 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -45.92 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.16 -37.01 85.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.682 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.7 97.82 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.891 1.223 . . . . 0.0 110.543 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.9 -44.33 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.5 85.54 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.181 0.593 . . . . 0.0 110.467 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.71 -37.74 85.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.892 0.477 . . . . 0.0 111.786 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -61.14 -46.49 90.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.578 0.627 . . . . 0.0 110.387 171.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.37 -43.09 99.64 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.567 0.347 . . . . 0.0 110.08 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.32 -47.28 84.96 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.457 0.703 . . . . 0.0 110.219 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.09 -45.89 75.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.948 0.795 . . . . 0.0 110.795 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.36 -44.31 95.18 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.34 83.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.938 0.895 . . . . 0.0 112.272 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.53 -29.5 70.61 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.06 1.344 . . . . 0.0 111.313 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 147.85 130.55 2.01 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 173.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -76.09 72.95 2.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.025 0.93 . . . . 0.0 109.421 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -91.62 18.32 7.62 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.316 1.047 . . . . 0.0 110.47 172.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.5 t80 . . . . . 0 C--O 1.245 0.855 0 C-N-CA 126.608 1.963 . . . . 0.0 109.337 -176.813 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.43 2.62 2.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.027 0.931 . . . . 0.0 112.469 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -78.86 17.4 0.73 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.421 1.088 . . . . 0.0 112.965 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.67 29.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.325 1.85 . . . . 0.0 112.927 -169.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.57 71.17 2.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.807 1.243 . . . . 0.0 108.637 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -50.09 -50.02 49.56 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.641 1.576 . . . . 0.0 111.858 -171.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.68 140.7 15.12 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.47 -19.91 65.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.93 -0.557 . . . . 0.0 112.285 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.1 m -57.14 -35.81 69.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.101 1.319 . . . . 0.0 110.756 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -61.79 -47.68 84.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.915 0.78 . . . . 0.0 109.0 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -65.45 -47.84 74.74 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.987 1.315 . . . . 0.0 110.508 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -62.63 -48.74 78.07 Favored 'General case' 0 C--O 1.232 0.164 0 O-C-N 122.112 -0.368 . . . . 0.0 110.457 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -64.84 -47.58 77.44 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.565 -174.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.4 tt -60.07 -42.32 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 119.495 1.043 . . . . 0.0 109.824 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.75 -33.43 75.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.131 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 p -105.16 -10.58 17.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -136.87 -7.35 1.86 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.071 1.305 . . . . 0.0 114.434 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -121.22 -62.94 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 120.208 1.367 . . . . 0.0 109.482 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 pt -94.85 10.25 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 119.152 0.887 . . . . 0.0 111.473 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.29 -38.26 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.528 1.131 . . . . 0.0 111.916 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -79.6 -18.06 52.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.239 1.016 . . . . 0.0 112.519 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.2 160.17 27.04 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.474 0.71 . . . . 0.0 111.387 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -141.53 -8.93 0.96 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.402 1.081 . . . . 0.0 112.492 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -143.67 156.46 44.55 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.125 1.37 . . . . 0.0 108.668 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -52.32 -37.87 57.0 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.91 -37.28 75.9 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.72 1.145 . . . . 0.0 109.857 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -70.07 -39.97 75.32 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.771 -0.58 . . . . 0.0 109.448 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -59.97 -42.73 94.77 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.863 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.64 92.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.307 0.503 . . . . 0.0 110.768 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -69.99 -37.86 75.83 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.934 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 -48.63 85.1 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -57.35 -52.56 64.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.592 0.757 . . . . 0.0 111.119 172.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.9 -46.89 78.24 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.886 0.474 . . . . 0.0 110.363 -176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -58.24 -56.71 18.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.037 0.935 . . . . 0.0 110.521 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.17 -37.16 75.1 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.135 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.57 -50.09 66.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.687 0.676 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.85 -39.2 84.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.646 0.657 . . . . 0.0 110.873 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.16 -22.72 65.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -97.52 -34.81 10.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.926 0.89 . . . . 0.0 111.623 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.5 117.38 4.81 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.48 51.68 1.71 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.761 0.824 . . . . 0.0 109.065 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -61.86 157.51 49.51 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 111.691 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.91 155.06 91.06 Favored 'Cis proline' 0 C--N 1.35 0.609 0 CA-C-N 119.279 0.778 . . . . 0.0 111.222 -9.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.15 -169.46 3.12 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.083 1.353 . . . . 0.0 108.206 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.79 165.82 24.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.643 1.11 . . . . 0.0 112.079 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.09 -179.96 37.93 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.292 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -115.56 123.58 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.18 106.1 8.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 169.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -82.61 50.42 1.66 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.259 1.824 . . . . 0.0 108.695 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -55.25 143.11 29.07 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.637 1.175 . . . . 0.0 109.894 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -131.32 29.9 4.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 110.08 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -142.56 16.12 2.0 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -168.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -79.98 57.49 2.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.736 -1.228 . . . . 0.0 110.826 -173.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 53.71 29.58 9.72 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.128 1.371 . . . . 0.0 111.352 -169.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -155.88 156.41 34.59 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.993 1.717 . . . . 0.0 106.632 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -82.31 -6.22 59.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.905 0.882 . . . . 0.0 111.059 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -66.67 143.04 57.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.649 0.78 . . . . 0.0 109.18 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.2 mm -66.8 143.48 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -128.94 152.17 48.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.371 2.668 . . . . 0.0 105.334 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.41 102.92 6.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -169.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -109.63 109.49 20.26 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.689 1.196 . . . . 0.0 108.794 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -64.45 133.09 51.78 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.73 145.35 25.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.354 0.662 . . . . 0.0 110.924 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.67 125.05 42.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -98.31 114.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -173.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.66 -26.98 34.28 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.515 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.7 -175.82 33.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mmm -64.23 153.36 38.26 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.245 0.545 . . . . 0.0 110.488 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.56 171.62 4.92 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.279 1.031 . . . . 0.0 109.986 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.12 150.14 10.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.764 2.309 . . . . 0.0 112.395 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.27 -27.26 65.65 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.124 0.57 . . . . 0.0 111.636 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.11 -33.82 76.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.47 0.708 . . . . 0.0 111.904 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -76.53 -43.77 37.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -75.49 8.18 3.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -170.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.7 -4.96 57.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.482 1.113 . . . . 0.0 113.03 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -142.94 -20.76 0.65 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -160.25 150.04 17.94 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -80.26 121.98 26.31 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.277 1.399 . . . . 0.0 110.193 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -123.74 151.91 42.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.396 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.22 146.89 28.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.228 1.011 . . . . 0.0 109.043 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.63 137.58 35.44 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.75 131.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.484 0.713 . . . . 0.0 110.074 -172.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.3 134.74 40.19 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -83.1 64.66 7.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.468 1.107 . . . . 0.0 110.611 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.0 pt -58.89 -18.0 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.491 -0.756 . . . . 0.0 112.383 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.47 1.81 88.49 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.247 1.403 . . . . 0.0 113.243 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.23 -92.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 CA-C-N 119.358 1.579 . . . . 0.0 111.475 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -59.7 -37.19 78.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.834 0.817 . . . . 0.0 112.339 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.02 -24.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 129.797 3.239 . . . . 0.0 115.748 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.22 11.46 12.32 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.248 1.819 . . . . 0.0 111.154 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -135.12 162.66 31.88 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.203 1.001 . . . . 0.0 110.342 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.46 150.19 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.711 1.604 . . . . 0.0 110.494 -168.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -141.12 -172.78 3.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.7 2.4 . . . . 0.0 108.12 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 m -120.41 148.43 43.79 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.34 48.4 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.367 1.067 . . . . 0.0 109.486 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 129.03 37.42 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 171.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.63 -30.62 69.98 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.003 0.365 . . . . 0.0 110.525 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -50.89 -24.89 3.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.084 2.154 . . . . 0.0 113.614 171.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -110.96 12.7 22.14 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.194 0.998 . . . . 0.0 111.525 -169.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.93 154.35 26.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 125.277 1.431 . . . . 0.0 109.534 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -125.41 118.47 25.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.36 139.63 42.52 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.28 139.52 51.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.546 1.138 . . . . 0.0 108.576 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 51.83 36.14 17.28 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.676 1.59 . . . . 0.0 113.084 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -106.21 165.58 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.633 0.773 . . . . 0.0 110.523 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 157.91 33.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 123.49 0.716 . . . . 0.0 110.904 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.67 -41.64 81.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.466 -176.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.68 -40.54 72.89 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.143 0.883 . . . . 0.0 110.44 -175.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 61.2 m -60.09 -51.23 70.5 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.823 0.849 . . . . 0.0 109.89 173.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.26 -47.14 86.46 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.44 -34.89 77.68 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.488 0.715 . . . . 0.0 111.843 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.16 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.686 0.676 . . . . 0.0 110.909 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.62 -43.18 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.24 76.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.981 0.513 . . . . 0.0 110.168 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.19 -42.86 99.68 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.037 0.38 . . . . 0.0 111.739 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -60.18 -46.1 90.86 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.591 0.356 . . . . 0.0 110.184 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.17 -43.58 97.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.037 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -60.41 -53.22 60.21 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.328 0.513 . . . . 0.0 109.71 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -55.94 -44.82 78.77 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.582 0.753 . . . . 0.0 111.03 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.14 -42.98 99.58 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 -173.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.53 -36.0 68.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.42 0.688 . . . . 0.0 111.967 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -68.34 -24.17 64.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.885 0.874 . . . . 0.0 111.912 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.59 -113.69 0.76 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -142.4 -174.06 4.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -53.23 -57.69 9.63 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.982 1.313 . . . . 0.0 110.974 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.524 1.53 . . . . 0.0 107.999 170.149 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.5 71.65 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.929 . . . . 0.0 112.492 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -62.55 -9.46 8.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.623 1.569 . . . . 0.0 114.789 -171.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 m -70.54 -1.6 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 119.043 0.838 . . . . 0.0 112.897 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.27 138.99 19.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.503 1.047 . . . . 0.0 109.899 169.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -113.99 -50.4 2.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -158.22 140.33 14.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.05 -16.72 63.76 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.8 p -56.43 -28.06 58.43 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.752 1.16 . . . . 0.0 111.763 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -58.93 -48.98 79.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.448 0.567 . . . . 0.0 110.027 175.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.99 -43.23 68.46 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.885 0.474 . . . . 0.0 109.932 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -63.2 -48.1 79.74 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.129 -0.357 . . . . 0.0 110.783 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -67.87 -41.86 82.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.092 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -64.57 -41.25 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.276 0.944 . . . . 0.0 109.401 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.96 -38.7 89.5 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.616 -0.677 . . . . 0.0 111.45 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -97.41 0.42 47.73 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -170.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -139.44 -16.61 1.03 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.44 -31.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.383 1.447 . . . . 0.0 112.946 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.84 35.44 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.666 1.121 . . . . 0.0 111.16 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.7 m -53.01 -35.9 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.498 1.519 . . . . 0.0 114.593 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -133.32 3.99 3.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.268 1.027 . . . . 0.0 111.444 -169.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.23 102.94 3.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.6 -12.68 57.52 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -143.47 151.28 40.13 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.119 0.968 . . . . 0.0 109.898 -169.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -30.46 26.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.63 -42.77 61.01 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.565 1.075 . . . . 0.0 108.624 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.73 -36.62 84.89 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.771 -0.581 . . . . 0.0 109.696 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -69.53 -33.61 73.05 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.49 -0.756 . . . . 0.0 110.747 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.23 95.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.515 0.598 . . . . 0.0 110.016 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.1 mmt -65.12 -39.62 93.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.821 0.737 . . . . 0.0 111.622 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.55 77.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.83 -53.76 51.14 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.016 0.526 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -57.26 -46.06 83.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.439 0.696 . . . . 0.0 110.327 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -58.57 -55.07 39.74 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 110.284 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -35.52 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.771 -0.771 . . . . 0.0 110.448 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.26 -49.81 68.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.549 0.613 . . . . 0.0 109.86 -177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.92 -39.94 87.19 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.284 0.633 . . . . 0.0 110.851 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.32 -25.02 66.63 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.1 m -95.41 -36.15 11.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.573 0.749 . . . . 0.0 111.621 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.69 119.3 8.42 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -84.12 51.83 2.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.743 0.817 . . . . 0.0 109.248 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -61.93 158.12 45.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 124.547 1.139 . . . . 0.0 111.987 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.76 155.73 90.23 Favored 'Cis proline' 0 C--N 1.35 0.657 0 CA-C-N 119.458 0.842 . . . . 0.0 111.727 -7.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -143.8 -168.85 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.377 1.471 . . . . 0.0 108.284 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.39 169.02 17.86 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.039 -1.038 . . . . 0.0 111.752 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.85 -177.79 39.41 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-O 122.174 0.874 . . . . 0.0 111.345 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.63 122.93 47.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.3 106.86 9.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 169.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.81 49.99 1.72 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.598 1.559 . . . . 0.0 108.404 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -52.77 119.6 4.77 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.811 1.244 . . . . 0.0 110.729 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -92.66 -10.79 36.01 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 111.421 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -72.82 26.54 0.06 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.46 2.304 . . . . 0.0 114.664 -171.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -69.87 178.76 2.51 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.82 -1.175 . . . . 0.0 110.576 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -60.53 -18.82 54.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.596 0.758 . . . . 0.0 112.169 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -127.41 172.92 10.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.223 1.809 . . . . 0.0 107.842 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -65.34 -4.59 5.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.392 1.077 . . . . 0.0 113.821 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -62.16 138.16 58.36 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.8 2.04 . . . . 0.0 111.285 -174.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 mm -70.81 144.46 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -126.03 153.58 44.21 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.871 2.068 . . . . 0.0 105.711 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -128.32 112.59 14.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -118.07 121.28 40.19 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -70.11 131.73 44.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.74 146.81 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.964 0.506 . . . . 0.0 110.644 -174.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.75 118.0 32.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.31 107.82 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.01 -29.69 60.93 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.242 0.617 . . . . 0.0 111.577 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.6 178.31 32.5 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 107.605 -2.198 . . . . 0.0 107.605 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mtp -63.58 151.44 41.54 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 122.149 -0.618 . . . . 0.0 110.226 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.79 168.21 9.37 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.405 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.08 152.55 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.56 2.173 . . . . 0.0 112.338 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -58.56 -28.58 65.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.826 0.45 . . . . 0.0 111.204 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.53 -28.99 70.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.836 0.854 . . . . 0.0 112.294 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -81.81 -42.99 18.91 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.63 20.16 0.24 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.281 1.032 . . . . 0.0 113.648 -174.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -15.51 62.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.762 2.025 . . . . 0.0 112.371 -175.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -148.83 -19.35 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -174.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -154.04 152.37 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 -175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -87.8 124.31 33.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 118.999 0.818 . . . . 0.0 109.143 -173.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -127.1 154.57 44.55 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.328 1.051 . . . . 0.0 109.778 -175.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.29 144.66 32.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.979 0.911 . . . . 0.0 109.008 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.19 141.83 38.38 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.81 138.17 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -169.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.03 135.99 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.55 64.7 8.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 111.415 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.1 pt -58.19 -19.01 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 O-C-N 121.637 -0.664 . . . . 0.0 112.609 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.29 -2.62 87.61 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.917 1.246 . . . . 0.0 113.12 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.93 -96.47 0.13 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 119.255 1.528 . . . . 0.0 111.156 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 117.782 0.791 . . . . 0.0 112.503 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.64 -24.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 130.007 3.323 . . . . 0.0 115.953 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.68 11.22 12.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.179 1.792 . . . . 0.0 111.049 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -133.91 162.67 31.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 110.601 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.15 148.95 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.883 1.673 . . . . 0.0 110.381 -168.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.48 -175.25 4.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.285 2.234 . . . . 0.0 108.279 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.0 m -119.15 144.42 46.67 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 169.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.32 152.08 51.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.689 1.196 . . . . 0.0 109.284 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 131.06 42.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 172.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.94 -33.75 73.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.101 0.864 . . . . 0.0 109.882 172.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -56.1 -16.93 5.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.158 2.183 . . . . 0.0 113.84 174.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -117.1 15.12 15.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.722 1.209 . . . . 0.0 111.041 -171.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.37 153.87 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.403 1.481 . . . . 0.0 109.593 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -121.15 118.93 30.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.566 -2.012 . . . . 0.0 105.566 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.44 140.06 38.68 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -130.29 141.3 46.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.882 1.273 . . . . 0.0 107.909 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.44 24.7 8.78 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.692 1.597 . . . . 0.0 113.798 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.06 163.61 3.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.221 1.008 . . . . 0.0 111.908 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.54 157.07 38.65 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.367 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.17 -43.71 78.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.706 0.802 . . . . 0.0 112.077 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.43 -29.16 61.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.261 0.937 . . . . 0.0 110.824 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 69.8 m -68.21 -50.39 54.43 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.71 -48.37 79.76 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.346 0.659 . . . . 0.0 109.86 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.77 -35.27 80.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.459 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.78 91.44 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.588 1.085 . . . . 0.0 110.623 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.78 -45.01 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.94 91.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.146 0.578 . . . . 0.0 110.139 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.71 -38.92 90.53 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.847 0.459 . . . . 0.0 111.003 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -60.09 -48.98 79.47 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.393 0.542 . . . . 0.0 110.735 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.88 -45.38 94.81 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -62.56 -46.68 87.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.204 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -57.87 -45.14 86.76 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.643 1.11 . . . . 0.0 110.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.0 -42.34 97.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.81 -36.39 72.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.691 0.796 . . . . 0.0 112.383 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -61.26 -31.54 71.34 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.151 1.38 . . . . 0.0 110.399 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.13 126.46 1.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 169.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.23 79.65 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -129.73 7.17 5.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-O 117.02 -1.467 . . . . 0.0 110.071 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttm . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.67 70.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.398 0.679 . . . . 0.0 112.502 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -63.3 99.08 0.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.821 1.248 . . . . 0.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.91 -21.36 28.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.07 0.548 . . . . 0.0 111.709 172.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -139.92 137.28 34.68 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -132.57 -25.5 1.9 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.751 0.705 . . . . 0.0 112.417 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.19 143.74 57.65 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.354 0.525 . . . . 0.0 110.935 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.95 -27.31 51.94 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.658 1.183 . . . . 0.0 112.756 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 m -56.58 -42.05 77.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.852 0.751 . . . . 0.0 110.784 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -62.94 -39.78 95.65 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.79 1.177 . . . . 0.0 110.133 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.12 -44.96 78.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -60.58 -46.35 90.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.95 0.9 . . . . 0.0 110.926 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -70.06 -46.22 65.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.015 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.39 -42.46 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.28 0.945 . . . . 0.0 108.881 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.15 -55.33 35.18 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.9 p -72.6 -4.63 32.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -172.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -119.52 -27.93 5.43 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.427 1.012 . . . . 0.0 112.469 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -118.87 -34.08 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 119.514 1.052 . . . . 0.0 112.389 -169.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.26 31.47 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.933 1.242 . . . . 0.0 112.55 -171.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -52.24 -33.65 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.042 0.937 . . . . 0.0 112.896 173.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -89.74 2.78 54.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.315 1.446 . . . . 0.0 113.011 -171.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.97 146.22 45.11 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.122 0.969 . . . . 0.0 110.185 -170.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.32 4.16 2.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.725 0.81 . . . . 0.0 111.805 -172.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -138.69 149.53 45.22 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 108.533 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -52.6 -36.51 56.35 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.42 -42.77 74.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.637 1.108 . . . . 0.0 109.416 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.57 -37.56 79.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.199 0.599 . . . . 0.0 109.614 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -72.23 -29.69 64.19 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.307 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.5 96.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.408 1.004 . . . . 0.0 109.489 169.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.61 -40.16 92.31 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.722 -0.656 . . . . 0.0 111.5 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -50.88 61.61 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.264 0.938 . . . . 0.0 111.534 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -53.27 -53.4 51.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.457 0.703 . . . . 0.0 110.32 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -55.6 -47.44 76.49 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.466 0.706 . . . . 0.0 111.407 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.97 -50.69 65.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.905 0.775 . . . . 0.0 110.259 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -35.79 75.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.201 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.27 -52.2 63.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.436 0.562 . . . . 0.0 109.925 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.95 -40.99 86.36 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.283 0.633 . . . . 0.0 110.833 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.64 -25.2 67.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.2 m -93.32 -37.53 11.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.912 0.885 . . . . 0.0 111.714 -175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.74 122.29 13.18 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -82.09 48.77 1.29 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.093 1.357 . . . . 0.0 109.523 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -63.88 154.77 80.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.025 0.93 . . . . 0.0 111.529 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.15 152.85 91.17 Favored 'Cis proline' 0 CA--C 1.538 0.695 0 CA-C-N 119.27 0.775 . . . . 0.0 111.481 -8.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.05 -168.5 2.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.483 1.513 . . . . 0.0 108.418 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.5 ptm -135.23 166.76 22.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.516 1.053 . . . . 0.0 111.746 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.29 -178.34 38.94 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.172 0.873 . . . . 0.0 111.621 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.64 119.65 36.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 170.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.43 111.21 11.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 169.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -82.44 49.61 1.48 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.368 1.467 . . . . 0.0 108.45 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.64 120.66 9.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 109.632 -169.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.03 120.54 10.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -52.52 -47.39 66.69 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.351 0.66 . . . . 0.0 112.16 -169.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -146.55 -162.13 1.47 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.56 69.96 0.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.16 0.891 . . . . 0.0 109.134 169.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -157.21 171.03 21.15 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.045 1.738 . . . . 0.0 108.005 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 m -72.93 -21.62 60.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 m -61.94 150.14 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.336 1.054 . . . . 0.0 110.625 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mt -130.07 140.82 47.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.08 0.952 . . . . 0.0 109.499 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.16 104.55 14.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -82.12 95.98 7.65 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -98.47 117.86 33.85 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -69.32 133.11 47.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.67 145.84 26.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.409 0.684 . . . . 0.0 110.843 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.41 117.61 32.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -88.18 109.73 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.96 -29.84 50.01 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.248 0.619 . . . . 0.0 111.893 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.22 177.48 32.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.505 -2.238 . . . . 0.0 107.505 -174.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.76 150.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.064 -0.668 . . . . 0.0 110.55 172.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.81 168.49 8.66 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.105 0.962 . . . . 0.0 109.647 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.51 145.25 12.43 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.613 2.208 . . . . 0.0 112.098 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -28.17 63.63 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.281 0.632 . . . . 0.0 111.271 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.68 -35.36 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.198 0.999 . . . . 0.0 112.357 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -79.46 -37.29 37.26 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.326 0.512 . . . . 0.0 110.293 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.9 m -76.01 15.05 0.59 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -9.33 58.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.645 1.578 . . . . 0.0 112.563 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -137.35 -34.14 0.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.043 0.937 . . . . 0.0 112.771 -169.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -157.31 156.52 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -85.14 129.63 34.76 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.507 1.049 . . . . 0.0 109.225 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 154.23 46.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.227 1.011 . . . . 0.0 109.868 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.98 145.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 124.285 1.034 . . . . 0.0 109.125 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.16 140.86 37.65 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.08 136.62 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -172.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.09 133.71 42.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -83.04 67.75 9.24 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.772 0.829 . . . . 0.0 110.072 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 pt -60.18 -10.97 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.653 0.781 . . . . 0.0 113.035 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.02 -12.37 57.76 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 118.301 -1.277 . . . . 0.0 113.224 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.13 -22.95 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 CA-C-N 119.553 1.677 . . . . 0.0 116.02 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -137.89 -40.21 0.55 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.544 1.672 . . . . 0.0 111.446 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 59.69 -28.9 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.408 3.083 . . . . 0.0 115.227 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -105.53 5.48 31.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.656 1.582 . . . . 0.0 112.06 -172.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -134.73 161.32 35.48 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.66 0.784 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -131.59 147.58 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.107 1.763 . . . . 0.0 110.054 -168.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -139.46 -172.23 3.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.63 2.372 . . . . 0.0 108.151 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -120.03 147.5 44.72 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.1 51.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.988 1.315 . . . . 0.0 109.628 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -71.86 125.37 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.36 -36.74 78.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.107 0.867 . . . . 0.0 108.942 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 m -54.29 -11.01 0.44 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 129.23 3.012 . . . . 0.0 114.202 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -125.28 13.44 8.27 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.651 1.18 . . . . 0.0 111.676 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.7 154.98 15.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 125.522 1.529 . . . . 0.0 109.128 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.11 118.17 29.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 173.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.51 137.96 38.18 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.5 mt -129.12 136.75 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.66 1.184 . . . . 0.0 108.112 -176.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 58.53 23.59 10.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.757 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.48 165.45 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.399 1.079 . . . . 0.0 112.141 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.1 156.69 38.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.02 -44.25 82.66 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.6 0.76 . . . . 0.0 112.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.25 -28.76 62.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.105 0.866 . . . . 0.0 110.811 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.7 m -68.18 -50.41 54.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -46.69 84.77 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.099 0.559 . . . . 0.0 109.764 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.59 -37.19 86.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.157 0.583 . . . . 0.0 111.359 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.69 81.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.991 0.814 . . . . 0.0 110.222 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.38 -47.89 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.68 90.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.609 0.764 . . . . 0.0 110.612 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.68 -33.48 72.62 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.228 0.467 . . . . 0.0 111.641 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -63.63 -46.04 87.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.546 0.612 . . . . 0.0 110.506 170.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.03 -43.91 98.18 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.984 -0.448 . . . . 0.0 109.854 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.87 -48.38 80.77 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.47 0.708 . . . . 0.0 110.232 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -54.46 -44.55 72.66 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.092 0.957 . . . . 0.0 110.94 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.35 -45.32 88.31 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.48 -27.89 69.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 122.702 0.401 . . . . 0.0 111.688 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.677 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.0 -7.29 3.79 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 117.471 -1.738 . . . . 0.0 113.562 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.87 84.15 0.07 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.372 1.586 . . . . 0.0 110.41 -173.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -58.24 -49.28 77.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -172.429 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.2 2.1 3.01 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.905 0.882 . . . . 0.0 111.688 -169.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -136.46 150.2 48.59 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.916 1.286 . . . . 0.0 108.697 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.83 -35.35 57.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.322 -0.847 . . . . 0.0 113.228 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.66 -44.88 80.67 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.686 1.13 . . . . 0.0 109.602 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -65.59 -40.99 93.3 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -71.44 -28.92 64.3 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.716 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.0 98.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.862 0.755 . . . . 0.0 109.22 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.48 -35.68 77.88 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.015 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.78 63.96 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.97 -51.96 64.54 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.392 0.677 . . . . 0.0 110.721 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.838 0.855 . . . . 0.0 110.668 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -56.26 -55.36 34.25 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.457 1.103 . . . . 0.0 110.522 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -36.09 73.5 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.26 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.99 -54.05 44.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.676 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.34 -38.7 84.61 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 118.798 0.726 . . . . 0.0 111.104 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.55 -24.94 67.77 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -93.57 -33.07 13.88 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.054 0.941 . . . . 0.0 111.707 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.21 122.0 12.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.45 49.2 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.905 1.282 . . . . 0.0 109.277 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -64.34 155.71 79.08 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 111.588 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -69.87 154.68 93.66 Favored 'Cis proline' 0 CA--C 1.538 0.691 0 CA-C-N 119.287 0.781 . . . . 0.0 111.162 -9.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -143.76 -167.88 2.7 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.22 1.408 . . . . 0.0 108.579 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 ptm -134.32 166.97 21.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 119.443 1.02 . . . . 0.0 111.958 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.9 -178.27 38.09 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-O 122.093 0.83 . . . . 0.0 111.458 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.82 122.6 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.3 106.79 9.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.27 47.87 1.31 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.027 1.731 . . . . 0.0 108.67 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt . . . . . 0 C--O 1.227 -0.125 0 C-N-CA 124.841 1.256 . . . . 0.0 110.977 -168.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.58 106.78 9.2 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -111.91 120.11 40.8 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -69.64 131.97 45.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.96 146.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.163 0.585 . . . . 0.0 110.721 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.95 126.83 41.47 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.34 111.19 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.45 -30.2 61.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.577 0.751 . . . . 0.0 111.063 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.38 -178.3 30.48 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 mtp -63.69 151.15 42.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 110.364 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.75 4.57 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.856 0.862 . . . . 0.0 109.981 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.59 137.35 33.23 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.487 2.125 . . . . 0.0 111.508 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.39 -29.95 64.51 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.667 0.787 . . . . 0.0 111.661 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.412 1.085 . . . . 0.0 112.813 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -85.51 -26.63 26.12 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.704 -0.622 . . . . 0.0 110.641 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -88.55 22.27 2.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.784 1.233 . . . . 0.0 113.05 -170.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.59 -7.71 46.13 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.806 1.243 . . . . 0.0 111.89 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -138.04 -28.96 0.85 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.438 1.095 . . . . 0.0 112.799 -169.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -154.03 149.49 27.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.4 mmt -76.95 84.08 3.49 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -78.29 153.38 31.83 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.24 -0.912 . . . . 0.0 110.878 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.74 145.09 31.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 124.898 1.279 . . . . 0.0 108.796 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.76 140.8 32.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -141.79 143.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.409 0.684 . . . . 0.0 109.974 -171.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.09 136.26 50.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 172.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.65 65.08 6.64 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 pt -58.9 -18.16 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 121.487 -0.758 . . . . 0.0 112.478 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.25 -3.76 88.58 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.889 1.233 . . . . 0.0 113.084 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.6 -97.04 0.14 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 119.194 1.497 . . . . 0.0 111.167 -174.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -60.59 -34.97 75.0 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.588 0.694 . . . . 0.0 112.541 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 60.35 -27.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 130.452 3.501 . . . . 0.0 116.556 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.45 7.53 22.77 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.424 1.49 . . . . 0.0 111.674 -170.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -137.09 164.66 27.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.969 0.908 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.9 147.15 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.569 1.548 . . . . 0.0 108.859 -169.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.76 -173.22 3.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.685 2.394 . . . . 0.0 107.863 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -123.26 147.22 47.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.19 157.52 46.14 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.946 1.298 . . . . 0.0 109.625 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 129.72 37.16 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.756 1.162 . . . . 0.0 109.355 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -54.19 -13.37 0.83 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.209 2.604 . . . . 0.0 114.068 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -124.5 14.62 8.84 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.252 1.421 . . . . 0.0 110.927 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.74 155.64 30.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.618 1.567 . . . . 0.0 109.591 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -124.94 119.11 27.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.8 40.41 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.4 mt -129.7 140.92 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.473 1.109 . . . . 0.0 108.524 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.57 35.87 19.1 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.759 1.624 . . . . 0.0 113.369 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -107.43 169.17 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.77 0.828 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.05 152.26 45.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.911 0.885 . . . . 0.0 110.535 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.06 -42.18 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.147 0.979 . . . . 0.0 112.086 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -73.23 -28.49 62.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.197 0.908 . . . . 0.0 111.005 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.536 HG21 HG21 ' A' ' 105' ' ' VAL . 92.0 m -70.38 -50.81 34.96 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.14 89.17 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.48 -38.94 92.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.463 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.94 95.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 110.519 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.0 -47.08 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.606 0.763 . . . . 0.0 109.1 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.61 89.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.9 -35.98 79.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.965 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -60.69 -47.32 86.79 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.96 0.8 . . . . 0.0 110.156 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.92 -45.5 93.43 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.532 0.333 . . . . 0.0 110.108 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.17 -44.51 95.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.529 0.732 . . . . 0.0 110.574 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -58.63 -48.11 82.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.743 0.701 . . . . 0.0 109.989 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.7 -42.46 97.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.509 0 C-N-CA 124.017 0.927 . . . . 0.0 112.175 176.456 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.119 0.485 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -130.03 -19.63 3.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.931 1.692 . . . . 0.0 110.291 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.16 148.79 43.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.775 1.23 . . . . 0.0 110.157 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -27.23 46.2 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.36 -42.02 79.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.444 1.475 . . . . 0.0 109.458 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.52 -36.47 82.79 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.407 0.683 . . . . 0.0 110.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -44.7 79.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.135 0.574 . . . . 0.0 110.595 171.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.06 87.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.184 0.447 . . . . 0.0 109.878 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.9 mmt -65.17 -39.05 92.37 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.611 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.97 -51.45 59.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 119.499 1.045 . . . . 0.0 111.275 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -54.94 -49.28 71.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.014 0.526 . . . . 0.0 110.862 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.17 -46.58 82.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.195 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.04 -51.34 64.63 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.918 0.781 . . . . 0.0 110.063 -171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -37.41 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.902 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.18 -50.4 68.25 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.823 0.738 . . . . 0.0 109.743 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.3 -41.61 89.42 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.473 0.709 . . . . 0.0 110.891 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.96 -25.71 67.24 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -93.31 -37.74 11.87 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 111.474 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.9 124.11 18.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.316 0.646 . . . . 0.0 109.408 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.69 50.76 1.01 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.638 1.975 . . . . 0.0 108.801 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -70.47 153.91 94.76 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 121.096 -1.002 . . . . 0.0 111.059 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 150.73 87.71 Favored 'Cis proline' 0 CA--C 1.537 0.635 0 CA-C-N 119.305 0.787 . . . . 0.0 110.427 -10.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -138.42 -172.26 3.24 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.908 1.283 . . . . 0.0 108.363 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.8 ptm -130.76 168.76 16.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 119.459 1.027 . . . . 0.0 111.565 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -176.96 39.32 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-O 122.174 0.874 . . . . 0.0 111.74 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -118.14 119.74 35.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -77.17 108.28 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -81.03 49.21 1.2 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.063 1.745 . . . . 0.0 108.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.461 0.092 0 C-N-CA 124.558 1.143 . . . . 0.0 111.45 -168.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -128.63 94.47 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -169.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -98.58 119.73 37.79 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 m -70.03 134.47 48.31 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.26 155.15 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.911 0.484 . . . . 0.0 111.668 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -107.02 116.35 31.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.1 110.97 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.87 -30.66 56.33 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.079 0.552 . . . . 0.0 112.121 -169.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.37 -178.46 34.6 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.219 -1.952 . . . . 0.0 108.219 -174.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.42 149.28 48.75 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.365 -0.491 . . . . 0.0 110.411 173.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.12 171.21 6.94 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.225 1.01 . . . . 0.0 110.426 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.21 148.95 9.44 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.066 2.511 . . . . 0.0 112.736 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.41 -28.56 67.03 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.264 0.626 . . . . 0.0 111.859 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.46 -34.44 74.39 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.261 0.624 . . . . 0.0 111.611 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.67 -47.92 70.98 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.39 15.0 0.5 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -170.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.38 -11.79 60.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.116 0.871 . . . . 0.0 112.04 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.87 -19.61 0.81 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -155.48 151.54 27.84 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -77.57 81.2 4.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.07 149.12 35.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.22 142.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.248 1.019 . . . . 0.0 108.913 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.17 142.66 43.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 p -149.49 139.95 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -169.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.88 138.0 51.58 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.33 1.052 . . . . 0.0 108.851 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.35 66.72 9.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 124.426 1.09 . . . . 0.0 110.957 -170.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.4 pt -58.33 -19.01 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.64 -0.663 . . . . 0.0 112.561 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.43 88.61 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.839 1.209 . . . . 0.0 113.056 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.08 -94.71 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 119.167 1.484 . . . . 0.0 111.06 -174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -60.11 -36.63 77.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 117.758 0.779 . . . . 0.0 112.373 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 59.83 -25.45 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 130.387 3.475 . . . . 0.0 116.411 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -118.37 11.12 12.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.056 1.742 . . . . 0.0 111.11 -172.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.66 164.13 28.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.239 1.016 . . . . 0.0 110.33 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.4 p -135.39 149.62 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.656 1.583 . . . . 0.0 110.067 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.33 -171.35 3.18 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.459 2.303 . . . . 0.0 108.435 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.47 146.36 48.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.32 42.1 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.595 1.158 . . . . 0.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -82.7 125.5 31.3 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.58 -29.38 69.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.574 1.079 . . . . 0.0 111.271 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' ' HE1' ' A' ' 116' ' ' TRP . 2.7 p -61.85 -20.88 64.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.967 1.307 . . . . 0.0 112.998 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -103.78 10.88 36.4 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.093 0.957 . . . . 0.0 111.343 -174.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.94 154.47 22.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.91 1.684 . . . . 0.0 108.941 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -120.95 117.88 28.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.84 139.45 40.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -129.65 143.3 41.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.041 1.337 . . . . 0.0 107.693 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.3 t70 56.61 23.36 7.63 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.672 1.589 . . . . 0.0 113.928 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.8 m -79.28 164.65 3.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.046 0.939 . . . . 0.0 111.65 175.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.35 157.08 38.71 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.37 169.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.92 -44.54 82.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.529 0.731 . . . . 0.0 111.823 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -73.09 -27.8 61.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.192 0.906 . . . . 0.0 110.927 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 53.6 m -69.35 -49.87 51.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 173.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.05 -46.14 85.85 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.549 0.613 . . . . 0.0 109.778 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.38 -36.48 83.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.215 0.606 . . . . 0.0 111.252 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.42 84.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.239 0.927 . . . . 0.0 110.571 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.25 -43.13 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.68 95.1 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.682 0.793 . . . . 0.0 110.665 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.2 -39.91 82.31 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.6 0.636 . . . . 0.0 111.607 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.439 ' HE1' ' N ' ' A' ' 98' ' ' SER . 2.7 t-105 -58.14 -44.72 87.98 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.226 0.61 . . . . 0.0 110.437 170.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.69 -45.26 93.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.91 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.21 -40.53 97.75 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.251 0.932 . . . . 0.0 111.559 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 119' ' ' TRP . 2.8 t90 -51.73 -65.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 169.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 -31.19 70.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.815 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 124.886 1.274 . . . . 0.0 112.944 175.66 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.8 -2.49 2.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.312 0.645 . . . . 0.0 112.733 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -135.41 148.66 49.41 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.737 1.215 . . . . 0.0 108.62 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -48.89 -38.26 22.08 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.1 -43.35 74.68 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.427 1.012 . . . . 0.0 109.573 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.59 -35.21 75.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.634 0.774 . . . . 0.0 109.94 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -72.34 -30.9 65.18 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.187 -0.945 . . . . 0.0 110.911 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.3 86.12 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.796 0.725 . . . . 0.0 109.637 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.9 -36.76 83.0 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.531 -0.731 . . . . 0.0 111.603 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -53.34 39.48 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.3 0.954 . . . . 0.0 111.141 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -51.62 -54.45 27.68 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.42 0.688 . . . . 0.0 110.606 171.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -54.78 -48.4 72.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.26 0.624 . . . . 0.0 110.88 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.29 -53.3 57.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.63 0.65 . . . . 0.0 110.118 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -35.06 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.49 -176.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.22 -51.53 63.25 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.434 0.561 . . . . 0.0 109.62 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.04 -39.08 84.7 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.493 0.717 . . . . 0.0 110.96 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.43 -26.57 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.9 m -88.78 -40.36 13.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.484 0.713 . . . . 0.0 111.348 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 130.68 47.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 109.695 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.81 20.2 0.47 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.526 1.53 . . . . 0.0 112.591 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -45.7 146.57 1.82 Allowed Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.87 1.668 . . . . 0.0 114.977 -168.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -61.38 151.93 57.43 Favored 'Cis proline' 0 CA--C 1.539 0.759 0 CA-C-N 118.954 0.662 . . . . 0.0 113.19 -10.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -141.79 -171.56 3.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.474 1.51 . . . . 0.0 107.934 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ptm -131.26 167.34 19.37 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.999 1.272 . . . . 0.0 112.415 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.98 -177.25 39.12 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 121.78 0.656 . . . . 0.0 112.05 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.35 120.41 39.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -77.49 108.25 10.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -79.55 53.55 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.583 1.553 . . . . 0.0 109.889 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt . . . . . 0 CA--C 1.523 -0.075 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -171.754 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.05 100.66 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -169.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -105.52 119.72 39.83 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -70.36 132.14 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.84 153.91 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.993 0.517 . . . . 0.0 111.842 -171.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -104.43 125.5 50.69 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 168.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.43 108.78 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.7 -29.01 58.85 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 111.717 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.49 -178.72 33.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.99 149.74 46.71 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.427 -0.454 . . . . 0.0 109.943 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -71.3 175.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 123.335 0.654 . . . . 0.0 110.212 169.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 84.0 Cg_exo -49.3 143.07 20.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.344 2.696 . . . . 0.0 113.246 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.7 -39.07 64.87 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 125.002 1.321 . . . . 0.0 110.228 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.57 -36.16 82.97 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.229 1.012 . . . . 0.0 111.858 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -72.99 -37.07 67.15 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.77 13.21 1.39 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.29 -5.39 39.23 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.429 1.092 . . . . 0.0 111.745 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -141.0 -22.79 0.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.094 0.958 . . . . 0.0 113.226 -169.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -158.32 157.76 33.07 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.503 1.047 . . . . 0.0 108.942 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -84.88 81.9 8.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.073 0.851 . . . . 0.0 109.061 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.6 149.05 33.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.014 0.526 . . . . 0.0 110.189 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 m -133.84 143.66 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.328 1.051 . . . . 0.0 109.0 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.99 141.26 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.9 138.88 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.96 54.05 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.169 0.988 . . . . 0.0 108.525 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -80.68 67.54 6.59 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.021 1.328 . . . . 0.0 109.73 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.85 -12.08 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 121.051 -1.031 . . . . 0.0 112.855 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.93 -3.84 59.03 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.33 -1.261 . . . . 0.0 113.132 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.01 -6.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.917 0 CA-C-N 119.673 1.737 . . . . 0.0 116.943 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -140.43 -45.51 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.311 2.055 . . . . 0.0 109.298 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 58.47 -26.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.694 3.198 . . . . 0.0 115.524 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.97 6.06 24.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.62 1.568 . . . . 0.0 112.054 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -137.08 162.61 32.88 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.589 0.756 . . . . 0.0 111.102 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.9 t -135.24 150.78 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.642 1.577 . . . . 0.0 109.169 -169.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.76 -170.11 2.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.842 2.457 . . . . 0.0 107.977 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 m -123.41 147.66 46.89 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.82 161.42 37.28 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 124.563 1.145 . . . . 0.0 110.135 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 126.85 31.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 171.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.57 -31.09 65.8 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.288 0.494 . . . . 0.0 110.497 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -54.61 -17.6 3.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.769 2.027 . . . . 0.0 113.883 173.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.77 13.87 16.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.338 1.055 . . . . 0.0 111.846 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -121.86 154.05 26.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 125.427 1.491 . . . . 0.0 109.427 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -119.67 120.6 37.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 170.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.46 139.9 41.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -128.07 144.7 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.929 1.292 . . . . 0.0 108.166 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.86 26.93 12.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 113.5 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m -90.55 164.56 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.091 0.956 . . . . 0.0 111.45 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.39 157.71 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.01 1.324 . . . . 0.0 109.346 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.2 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.118 0.967 . . . . 0.0 112.14 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.41 -36.2 71.25 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.356 0.98 . . . . 0.0 110.923 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.8 m -63.71 -51.11 66.47 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.702 0.801 . . . . 0.0 109.014 173.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.86 -44.95 93.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -63.34 -36.6 84.22 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.402 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.28 90.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.357 0.98 . . . . 0.0 110.252 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.4 -43.09 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.62 96.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.443 0.697 . . . . 0.0 110.383 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.91 -35.43 76.83 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.153 0.433 . . . . 0.0 111.475 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.27 -46.56 89.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.391 0.541 . . . . 0.0 110.176 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.58 -41.84 99.19 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.94 -0.475 . . . . 0.0 110.526 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -62.73 -45.76 91.24 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.302 0.501 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.2 -38.43 79.86 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.917 0.78 . . . . 0.0 111.732 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -50.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 123.463 0.705 . . . . 0.0 112.349 176.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.903 0.382 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.92 2.12 1.72 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.004 0.922 . . . . 0.0 112.728 -173.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -129.38 145.64 51.37 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.182 1.393 . . . . 0.0 107.827 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -36.14 33.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.47 -43.97 62.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.768 1.167 . . . . 0.0 109.129 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -66.56 -34.68 78.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.226 0.61 . . . . 0.0 109.967 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -73.23 -31.37 64.1 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 121.022 -1.049 . . . . 0.0 111.248 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.46 87.2 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.287 0.949 . . . . 0.0 109.389 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.6 -37.92 85.92 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.756 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.5 -52.8 45.49 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 120.032 1.287 . . . . 0.0 111.37 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -54.47 -48.71 71.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.577 0.751 . . . . 0.0 110.861 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -57.34 -47.76 80.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.157 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -62.28 -52.49 63.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.554 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.6 -36.93 76.65 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.911 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.53 -49.22 69.75 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.484 0.583 . . . . 0.0 109.966 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.2 -38.47 83.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.734 0.814 . . . . 0.0 110.922 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -25.1 64.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -95.59 -36.56 11.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.396 0.678 . . . . 0.0 111.829 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.36 118.18 6.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -83.99 51.93 2.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.567 0.747 . . . . 0.0 109.102 174.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -61.87 158.06 45.7 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 124.68 1.192 . . . . 0.0 111.756 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.83 156.8 89.96 Favored 'Cis proline' 0 C--N 1.35 0.624 0 CA-C-N 119.496 0.856 . . . . 0.0 111.637 -7.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.39 -170.4 3.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.103 1.361 . . . . 0.0 108.759 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.21 170.24 15.29 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 119.373 0.988 . . . . 0.0 111.441 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.02 -177.34 39.73 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-O 122.158 0.866 . . . . 0.0 112.542 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -118.94 118.82 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 169.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.23 109.08 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -78.1 55.76 1.53 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.082 1.353 . . . . 0.0 109.215 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt . . . . . 0 N--CA 1.464 0.232 0 C-N-CA 124.12 0.968 . . . . 0.0 109.849 -169.596 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.69 91.0 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -173.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.33 118.86 33.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -70.53 133.31 46.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.73 156.95 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.407 0.683 . . . . 0.0 111.41 -171.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -107.0 126.37 52.23 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 169.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.61 111.38 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.92 -30.07 55.95 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.336 0.655 . . . . 0.0 111.612 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.47 33.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -63.4 150.25 43.99 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.486 . . . . 0.0 110.182 171.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 170.31 6.63 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 123.911 0.884 . . . . 0.0 110.173 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.72 146.88 14.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.813 2.342 . . . . 0.0 112.263 171.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -58.85 -28.48 66.13 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.128 0.571 . . . . 0.0 111.643 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.48 -34.08 77.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.285 0.634 . . . . 0.0 111.8 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.76 -41.38 65.13 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -75.55 12.74 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -171.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.33 -13.08 61.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.079 0.952 . . . . 0.0 111.781 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.18 -23.63 1.7 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -157.01 151.82 25.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.462 1.028 . . . . 0.0 108.675 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 80.25 4.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.867 0.867 . . . . 0.0 108.713 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.49 152.03 32.26 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.771 0.828 . . . . 0.0 109.998 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.24 144.22 36.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.613 1.165 . . . . 0.0 109.023 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.37 141.11 43.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 169.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.93 136.68 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -169.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.31 133.55 52.9 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.33 73.8 9.34 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.915 0.886 . . . . 0.0 109.883 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.6 pt -62.15 -5.36 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.68 -12.16 48.29 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 118.297 -1.28 . . . . 0.0 112.852 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.06 -11.79 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.618 1.709 . . . . 0.0 116.543 -169.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -135.98 -44.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.867 1.833 . . . . 0.0 110.502 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.8 -25.25 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.48 3.112 . . . . 0.0 115.902 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -117.43 9.93 13.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.039 1.736 . . . . 0.0 111.273 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -133.66 161.19 35.34 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.408 1.083 . . . . 0.0 110.367 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -135.29 148.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.165 1.386 . . . . 0.0 109.664 -168.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.37 -169.54 2.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 128.001 2.52 . . . . 0.0 107.873 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.29 146.88 47.53 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.68 160.46 38.77 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 124.658 1.183 . . . . 0.0 109.986 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.05 128.87 33.81 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 171.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.46 -33.42 69.73 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.356 0.98 . . . . 0.0 109.965 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -51.3 -18.05 0.87 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.121 2.569 . . . . 0.0 114.48 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -123.42 13.23 9.47 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.899 0.88 . . . . 0.0 112.292 -171.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.13 152.52 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 125.266 1.426 . . . . 0.0 109.342 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -112.73 120.86 42.97 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.57 139.93 37.35 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.0 mt -129.91 143.88 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.14 1.376 . . . . 0.0 107.657 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.34 21.82 7.18 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.738 1.615 . . . . 0.0 113.848 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.6 m -77.97 163.62 3.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 124.064 0.946 . . . . 0.0 111.841 176.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.41 157.23 38.42 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.366 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.4 -44.06 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 111.974 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.41 -29.6 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.266 0.939 . . . . 0.0 110.824 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.8 m -67.59 -50.51 57.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.13 -46.44 85.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.697 0.68 . . . . 0.0 110.086 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -62.94 -37.42 86.99 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.201 0.601 . . . . 0.0 111.078 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.5 93.62 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.182 0.901 . . . . 0.0 110.569 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.65 -45.76 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.54 92.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.096 0.558 . . . . 0.0 110.387 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -37.04 79.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 46.8 t-105 -59.17 -46.94 87.09 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.719 0.407 . . . . 0.0 109.987 170.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.21 -40.99 99.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.286 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -63.56 -44.94 92.67 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.891 0.768 . . . . 0.0 110.599 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -60.34 -38.94 85.33 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.8 -0.563 . . . . 0.0 111.267 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.38 -47.18 83.15 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.754 1.222 . . . . 0.0 112.814 -179.587 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.82 -1.17 1.84 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -133.77 148.9 51.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.797 1.239 . . . . 0.0 108.238 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.28 -37.11 45.53 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.98 -44.19 73.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.926 1.239 . . . . 0.0 109.369 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.07 -36.07 81.21 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.703 0.801 . . . . 0.0 110.056 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.53 -32.04 64.0 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 121.195 -0.941 . . . . 0.0 111.123 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.14 98.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.995 0.816 . . . . 0.0 109.352 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.4 mmt -60.86 -41.27 95.54 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.081 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.1 -52.76 49.39 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 119.617 1.099 . . . . 0.0 111.737 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -53.99 -50.91 65.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.384 0.674 . . . . 0.0 110.852 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.01 -46.08 82.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.205 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -61.24 -50.94 71.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.909 0.777 . . . . 0.0 109.881 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -34.77 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.72 -177.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.02 -52.45 62.86 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.541 1.064 . . . . 0.0 109.621 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.18 -36.35 75.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.915 0.779 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -69.68 -26.43 64.37 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.3 m -98.53 -34.16 10.71 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.867 0.867 . . . . 0.0 112.358 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 109' ' ' THR . 65.7 mt -66.83 3.66 1.01 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -169.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 19.36 60.13 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 130.98 3.712 . . . . 0.0 114.17 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.23 156.56 10.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.692 1.197 . . . . 0.0 113.258 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.12 162.91 91.84 Favored 'Cis proline' 0 CA--C 1.537 0.651 0 CA-C-N 118.562 0.522 . . . . 0.0 111.114 -10.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -143.55 -171.61 3.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -136.32 166.13 24.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.634 1.106 . . . . 0.0 112.62 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.86 -177.44 37.42 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.108 0.838 . . . . 0.0 111.357 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.5 122.05 46.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -76.9 108.55 10.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.78 53.82 2.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.705 1.602 . . . . 0.0 108.43 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.465 0.292 0 C-N-CA 125.202 1.401 . . . . 0.0 110.167 -169.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.6 105.1 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -169.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -110.68 120.23 41.74 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -70.02 132.08 45.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 m -140.34 145.67 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.031 0.532 . . . . 0.0 110.923 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.17 131.69 43.67 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.16 114.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.66 -31.21 22.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.847 0.859 . . . . 0.0 112.362 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.03 167.68 29.04 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.4 mtp -71.37 152.41 43.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.443 0.622 . . . . 0.0 109.485 169.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.61 165.76 27.71 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.518 1.127 . . . . 0.0 112.257 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.26 158.7 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.548 3.499 . . . . 0.0 114.935 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.16 -36.62 13.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.155 1.782 . . . . 0.0 112.001 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.48 -24.19 67.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.423 0.689 . . . . 0.0 112.448 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -102.72 -46.04 4.83 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.205 1.002 . . . . 0.0 110.045 -174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.8 p -71.44 -2.43 16.59 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.17 -10.41 59.74 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.417 1.087 . . . . 0.0 112.235 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -26.28 1.16 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -156.62 149.85 24.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.651 1.114 . . . . 0.0 109.868 -174.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.85 75.76 7.78 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.227 1.011 . . . . 0.0 109.336 -172.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.47 153.04 25.83 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.676 0.79 . . . . 0.0 109.841 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.8 m -136.52 145.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 125.402 1.481 . . . . 0.0 108.811 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.32 141.06 40.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.28 141.12 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -169.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.31 135.17 53.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -82.51 66.34 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.438 1.095 . . . . 0.0 110.839 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 pt -59.05 -17.02 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.553 -0.717 . . . . 0.0 112.518 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 -3.89 87.46 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.908 1.242 . . . . 0.0 113.167 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.6 -93.77 0.1 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 119.292 1.546 . . . . 0.0 111.263 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.31 -37.1 76.92 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 117.934 0.867 . . . . 0.0 112.359 -172.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.92 -25.47 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.22 3.408 . . . . 0.0 116.141 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.16 9.94 13.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.004 1.722 . . . . 0.0 111.244 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -134.51 162.75 31.39 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.042 0.937 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.89 145.61 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.879 1.672 . . . . 0.0 109.064 -169.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.75 -172.79 3.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.721 2.408 . . . . 0.0 107.801 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -122.83 143.74 49.66 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.98 152.85 51.37 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.956 1.303 . . . . 0.0 108.89 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 128.84 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.57 -31.67 68.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.309 0.504 . . . . 0.0 110.448 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -51.51 -19.8 1.61 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.916 2.486 . . . . 0.0 114.237 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.35 13.98 14.63 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.322 1.049 . . . . 0.0 111.534 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -119.63 153.21 22.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 125.383 1.473 . . . . 0.0 109.467 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -119.44 118.04 30.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.02 140.54 37.93 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.1 mt -129.23 141.31 46.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 124.176 0.991 . . . . 0.0 108.93 -174.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.5 38.4 22.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.815 1.646 . . . . 0.0 112.782 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.2 p -112.83 164.7 8.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.742 0.817 . . . . 0.0 110.828 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 154.37 40.82 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.882 0.873 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.02 -42.36 76.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.13 0.972 . . . . 0.0 112.154 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.42 -34.65 70.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.434 1.015 . . . . 0.0 110.707 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 m -63.9 -53.25 53.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 108.8 174.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -45.38 91.21 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.268 0.627 . . . . 0.0 109.882 -178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.26 -37.34 86.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.271 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.48 95.7 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.451 1.023 . . . . 0.0 110.669 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.54 -44.75 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.92 89.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.061 0.545 . . . . 0.0 110.321 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -68.03 -38.38 82.47 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.845 0.458 . . . . 0.0 111.713 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.14 -45.8 90.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.372 0.533 . . . . 0.0 110.581 170.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.99 -41.56 97.47 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.91 -0.493 . . . . 0.0 110.468 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -64.14 -41.81 97.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.593 0.633 . . . . 0.0 110.582 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -60.6 -40.62 92.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.887 0.767 . . . . 0.0 110.983 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.51 -44.37 97.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 124.448 1.099 . . . . 0.0 111.964 176.448 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.355 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.49 -2.4 2.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.409 1.084 . . . . 0.0 112.16 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.33 147.73 45.9 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.37 1.068 . . . . 0.0 109.434 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -53.41 -36.05 61.08 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 118.193 -0.908 . . . . 0.0 113.228 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.93 -42.95 84.46 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.655 1.116 . . . . 0.0 109.527 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.88 -43.16 93.84 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.384 0.674 . . . . 0.0 109.488 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -69.08 -33.79 74.1 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.149 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.17 90.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.708 0.686 . . . . 0.0 109.8 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.5 mmt -68.41 -37.23 80.12 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.695 0.68 . . . . 0.0 111.694 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.53 -50.67 61.37 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.09 0.859 . . . . 0.0 111.126 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -53.12 -52.27 59.21 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.262 0.625 . . . . 0.0 110.768 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.78 -48.14 75.83 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.238 0.615 . . . . 0.0 111.291 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -62.93 -52.19 64.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.374 0.534 . . . . 0.0 110.209 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -34.67 73.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.569 -0.853 . . . . 0.0 110.42 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.14 -53.61 50.73 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 118.517 0.599 . . . . 0.0 109.74 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.59 0.632 . . . . 0.0 110.929 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.21 -27.33 68.98 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -89.65 -38.77 13.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.897 0.879 . . . . 0.0 111.456 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.03 122.1 11.55 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 123.586 0.754 . . . . 0.0 109.878 -174.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.79 50.64 0.86 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.555 1.942 . . . . 0.0 108.982 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -71.36 153.07 94.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 O-C-N 120.977 -1.077 . . . . 0.0 111.081 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -70.05 150.55 91.07 Favored 'Cis proline' 0 CA--C 1.538 0.714 0 CA-C-N 119.255 0.77 . . . . 0.0 110.844 -10.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -141.17 -168.15 2.55 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.282 1.433 . . . . 0.0 108.351 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptm -132.43 167.17 20.42 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 119.42 1.009 . . . . 0.0 112.033 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.52 -177.84 38.14 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-O 122.145 0.858 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.02 120.69 37.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 171.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.0 110.48 11.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.7 59.31 3.02 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.533 1.533 . . . . 0.0 108.075 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? . . . . . 0 CA--C 1.53 0.21 0 C-N-CA 125.778 1.631 . . . . 0.0 108.703 -172.347 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.12 104.03 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -103.49 117.2 33.91 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -68.22 133.34 48.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.14 146.54 25.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.166 0.587 . . . . 0.0 110.376 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.62 115.89 28.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.67 108.79 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.75 -30.39 51.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 123.216 0.606 . . . . 0.0 111.756 -169.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.34 179.65 34.3 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.199 -1.96 . . . . 0.0 108.199 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.1 mmm -64.04 149.28 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.31 12.26 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.691 0.797 . . . . 0.0 109.09 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.66 138.65 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.797 2.332 . . . . 0.0 111.885 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -58.07 -29.67 65.59 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.812 0.845 . . . . 0.0 112.01 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.66 -31.92 72.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.056 0.943 . . . . 0.0 112.129 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.92 -18.91 42.0 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.883 -0.51 . . . . 0.0 110.826 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -100.21 20.2 15.08 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.093 0.957 . . . . 0.0 112.56 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.08 -0.41 21.76 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 112.516 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -146.18 -24.01 0.44 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -154.83 136.6 14.44 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -173.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.58 128.65 36.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.384 0.993 . . . . 0.0 109.706 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -122.56 153.11 39.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 109.257 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.85 144.77 31.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.231 1.012 . . . . 0.0 108.85 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.53 140.32 39.73 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.4 140.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.44 0.696 . . . . 0.0 109.679 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.28 135.81 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.75 63.56 6.94 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.383 1.073 . . . . 0.0 111.51 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.47 -18.72 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 121.496 -0.752 . . . . 0.0 112.758 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.59 85.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.913 1.245 . . . . 0.0 113.067 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.59 -97.43 0.16 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 119.123 1.461 . . . . 0.0 110.711 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.94 -34.03 74.09 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 117.758 0.779 . . . . 0.0 112.716 -171.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 60.7 -25.47 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.055 3.342 . . . . 0.0 116.093 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -116.0 10.2 15.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.966 1.706 . . . . 0.0 111.278 -172.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -135.69 163.49 30.04 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.127 0.971 . . . . 0.0 110.653 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.09 148.05 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 110.234 -168.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -141.71 -172.03 3.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.495 2.318 . . . . 0.0 108.31 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -123.15 147.45 46.81 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.29 154.39 51.33 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.802 1.241 . . . . 0.0 109.709 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -71.76 125.0 26.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 104.786 -2.302 . . . . 0.0 104.786 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.59 -34.25 72.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.084 0.856 . . . . 0.0 109.282 170.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -54.0 -12.16 0.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 129.06 2.944 . . . . 0.0 114.417 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -126.8 15.63 7.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.258 1.023 . . . . 0.0 111.705 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.13 155.47 21.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.554 1.542 . . . . 0.0 109.245 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -121.82 119.01 30.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.15 139.17 38.99 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.6 mt -131.3 144.54 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.481 1.113 . . . . 0.0 108.644 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.25 38.07 23.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.497 1.519 . . . . 0.0 113.08 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -115.18 168.45 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.846 0.858 . . . . 0.0 110.565 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.49 151.49 44.23 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.711 0.804 . . . . 0.0 110.492 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -55.52 -42.27 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.179 0.992 . . . . 0.0 111.898 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.91 -27.61 61.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.106 0.866 . . . . 0.0 111.2 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 105' ' ' VAL . 96.5 m -71.54 -49.22 42.86 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -46.39 88.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.11 -38.33 90.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.81 97.86 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.666 1.121 . . . . 0.0 110.45 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.36 -46.11 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.485 0.714 . . . . 0.0 109.093 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.52 91.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.119 0.568 . . . . 0.0 110.346 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.76 -35.51 77.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 119.256 -0.402 . . . . 0.0 112.024 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -60.33 -47.42 86.1 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.583 0.629 . . . . 0.0 110.139 170.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.44 -45.05 95.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.692 0.397 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -62.22 -45.58 92.71 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.623 0.769 . . . . 0.0 110.758 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -57.85 -47.27 83.18 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.959 0.504 . . . . 0.0 110.559 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.23 -47.68 84.95 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.63 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.008 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.284 0 CA-C-O 121.067 0.46 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.87 -7.43 2.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 0.0 111.106 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.34 152.39 41.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.057 1.343 . . . . 0.0 108.941 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -31.48 30.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.36 -42.61 68.24 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.219 0.918 . . . . 0.0 109.103 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -68.97 -35.19 76.44 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -59.17 -41.41 88.34 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.565 -0.709 . . . . 0.0 110.444 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.8 92.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.021 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mmt -61.82 -42.86 99.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.921 0.782 . . . . 0.0 111.215 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.6 63.3 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 118.963 0.801 . . . . 0.0 111.259 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -57.09 -49.06 77.04 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.84 0.456 . . . . 0.0 110.889 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.4 -47.75 82.87 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.044 0.538 . . . . 0.0 110.352 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -55.84 29.94 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.097 0.959 . . . . 0.0 110.522 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.24 -36.98 77.76 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.055 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.69 -51.37 59.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.205 0.457 . . . . 0.0 109.926 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.47 -38.21 83.52 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.495 0.589 . . . . 0.0 110.995 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.37 -25.19 66.68 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -93.03 -37.94 11.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.675 0.79 . . . . 0.0 111.584 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.21 121.82 11.65 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.629 0.772 . . . . 0.0 109.759 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.78 51.57 1.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.734 2.014 . . . . 0.0 108.895 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -71.07 155.3 93.44 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 121.108 -0.995 . . . . 0.0 111.426 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.94 152.96 90.69 Favored 'Cis proline' 0 CA--C 1.537 0.644 0 CA-C-N 119.306 0.788 . . . . 0.0 111.083 -10.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -141.4 -168.32 2.61 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.234 1.414 . . . . 0.0 108.526 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -135.3 169.58 17.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 119.48 1.036 . . . . 0.0 111.552 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.23 -179.58 40.76 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-O 121.773 0.651 . . . . 0.0 111.883 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -115.31 120.77 40.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -77.27 105.4 8.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 168.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -77.25 53.79 1.04 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.932 1.693 . . . . 0.0 107.313 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 126.141 1.777 . . . . 0.0 112.412 -168.349 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -130.71 105.3 7.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -169.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -114.36 118.15 33.05 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -69.93 132.32 45.78 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.79 145.96 28.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.357 0.663 . . . . 0.0 110.757 -174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -96.93 122.32 39.78 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 103.722 -2.696 . . . . 0.0 103.722 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.17 109.02 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.45 -34.77 79.07 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.154 0.581 . . . . 0.0 110.406 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.83 -176.16 33.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -173.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.0 tpt -62.67 145.48 54.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.067 0.547 . . . . 0.0 109.596 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 167.88 11.2 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.571 0.749 . . . . 0.0 111.102 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.62 150.6 5.86 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.15 2.567 . . . . 0.0 112.818 171.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.93 -33.31 64.59 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.104 0.962 . . . . 0.0 111.384 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.93 -30.57 69.92 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.239 1.016 . . . . 0.0 112.355 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -75.65 -42.67 50.75 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.0 m -78.05 15.79 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.422 1.089 . . . . 0.0 113.634 -173.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -15.88 61.89 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.772 1.229 . . . . 0.0 112.488 -177.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -142.16 -31.94 0.52 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.635 0.774 . . . . 0.0 112.898 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.79 156.79 43.82 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.312 1.045 . . . . 0.0 109.309 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -85.78 118.67 25.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.777 0.831 . . . . 0.0 109.589 -173.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -129.05 153.0 48.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.253 1.021 . . . . 0.0 109.634 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.17 145.91 32.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 124.247 1.019 . . . . 0.0 108.644 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -81.32 139.4 35.41 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.7 139.43 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.746 0.819 . . . . 0.0 110.046 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.48 135.17 44.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.5 66.23 5.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.175 0.99 . . . . 0.0 110.159 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 pt -59.54 -13.47 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 121.38 -0.825 . . . . 0.0 112.702 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.69 -10.47 65.12 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.21 -1.328 . . . . 0.0 113.246 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.48 -25.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-N 119.612 1.706 . . . . 0.0 116.127 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.26 -40.11 0.47 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.651 1.725 . . . . 0.0 111.517 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 60.51 -34.38 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.801 3.241 . . . . 0.0 115.487 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.71 0.51 57.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.254 1.421 . . . . 0.0 113.176 -169.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -137.8 164.03 29.92 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.045 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.83 148.42 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.805 1.642 . . . . 0.0 109.228 -169.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -141.47 -173.48 3.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 128.113 2.565 . . . . 0.0 107.398 -176.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.6 m -123.89 147.71 47.44 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.73 148.65 50.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.802 1.241 . . . . 0.0 109.017 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 129.34 38.61 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 169.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.1 -31.49 70.09 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -49.4 -23.19 1.39 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.349 171.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -116.22 12.89 15.56 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.979 0.809 . . . . 0.0 112.14 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.43 155.09 19.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 125.226 1.41 . . . . 0.0 109.416 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -122.23 131.65 54.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.44 140.96 32.04 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -129.35 142.42 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 125.002 1.321 . . . . 0.0 107.556 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.97 21.54 7.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.806 1.642 . . . . 0.0 114.084 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -79.68 166.31 2.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.165 0.986 . . . . 0.0 111.618 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.94 161.96 27.96 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.34 -42.43 86.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.265 0.626 . . . . 0.0 112.429 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -39.97 75.43 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.242 0.928 . . . . 0.0 110.579 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.5 m -60.1 -49.82 76.12 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.81 1.244 . . . . 0.0 110.187 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.59 -47.33 86.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.685 0.675 . . . . 0.0 109.759 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.41 -36.98 84.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.056 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.41 92.57 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.373 0.988 . . . . 0.0 110.835 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.22 -45.49 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.85 82.78 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.45 0.7 . . . . 0.0 110.806 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.04 -46.41 89.61 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.773 0.829 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.78 -44.39 96.86 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.766 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.16 -44.86 94.28 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.113 0.415 . . . . 0.0 110.331 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -63.05 -41.93 99.59 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.298 0.639 . . . . 0.0 110.6 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -63.14 -49.77 73.05 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.551 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.5 tp -66.22 -29.19 69.4 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.754 1.161 . . . . 0.0 110.817 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.554 0 C-N-CA 123.958 0.903 . . . . 0.0 112.418 171.414 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.9 0.381 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.81 -0.7 2.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.99 151.42 49.89 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.518 1.127 . . . . 0.0 108.637 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -44.41 -40.35 5.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.413 . . . . 0.0 113.618 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.98 -46.29 36.34 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.244 0.929 . . . . 0.0 108.71 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -64.34 -36.98 85.88 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.84 0.856 . . . . 0.0 109.872 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -73.28 -34.07 65.57 Favored 'General case' 0 C--O 1.231 0.093 0 O-C-N 121.466 -0.771 . . . . 0.0 110.998 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.146 0.884 . . . . 0.0 109.502 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.63 -39.18 88.16 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.674 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.22 -52.22 45.5 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 119.471 1.032 . . . . 0.0 111.325 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -54.59 -50.58 67.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.402 0.681 . . . . 0.0 110.913 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -56.52 -47.66 78.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.163 0.585 . . . . 0.0 110.957 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.03 -52.19 64.94 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.404 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -36.75 74.6 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.004 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.39 -49.95 67.33 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.673 0.669 . . . . 0.0 109.838 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.63 -39.09 83.17 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.353 0.661 . . . . 0.0 110.971 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 83.5 m -93.96 -37.8 11.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.695 0.798 . . . . 0.0 111.671 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.58 123.18 15.4 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 109.642 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.47 51.7 1.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.362 1.865 . . . . 0.0 108.835 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -70.99 153.03 94.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 O-C-N 120.983 -1.073 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.16 150.74 91.66 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.25 0.768 . . . . 0.0 110.669 -10.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -141.09 -170.15 2.99 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.141 1.376 . . . . 0.0 108.334 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -131.72 166.9 20.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.649 1.113 . . . . 0.0 112.056 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.96 -178.56 38.92 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -114.3 122.64 47.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -75.98 105.77 7.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -84.54 50.35 1.87 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.695 1.598 . . . . 0.0 108.012 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt . . . . . 0 N--CA 1.458 -0.05 0 C-N-CA 124.793 1.237 . . . . 0.0 110.577 -168.839 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.37 116.54 18.43 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -123.47 122.63 38.73 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -70.95 132.76 45.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -139.87 146.95 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.0 0.52 . . . . 0.0 110.562 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.95 115.43 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.09 108.79 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.24 -30.41 54.5 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.085 0.554 . . . . 0.0 111.657 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.13 -179.62 34.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.49 149.71 48.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.344 -0.504 . . . . 0.0 110.426 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 171.15 6.91 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 123.984 0.914 . . . . 0.0 109.562 169.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.45 146.63 13.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.675 2.25 . . . . 0.0 112.254 171.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -29.14 64.72 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.208 0.603 . . . . 0.0 111.708 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 -34.31 77.57 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.706 0.802 . . . . 0.0 111.922 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.7 -40.56 72.79 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.3 15.44 0.96 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -171.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.22 -7.61 54.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.0 0.92 . . . . 0.0 112.249 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.78 -25.59 0.68 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -151.85 147.9 27.17 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -76.92 84.6 3.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -78.42 150.32 33.1 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.837 -0.539 . . . . 0.0 109.647 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 m -135.22 145.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.47 1.108 . . . . 0.0 108.771 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.52 143.64 38.27 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 169.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.16 142.28 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -169.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 135.36 54.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.6 65.51 7.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.288 1.035 . . . . 0.0 111.182 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.84 -17.98 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 121.487 -0.758 . . . . 0.0 112.573 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.84 -3.6 87.87 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.904 1.24 . . . . 0.0 113.03 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.29 -95.38 0.12 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 119.225 1.513 . . . . 0.0 111.098 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.33 -35.4 75.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.753 0.777 . . . . 0.0 112.481 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 60.34 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 130.268 3.427 . . . . 0.0 116.292 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.36 9.09 15.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.877 1.671 . . . . 0.0 111.257 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -135.27 163.39 30.08 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.914 0.886 . . . . 0.0 110.937 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.19 145.86 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.028 1.731 . . . . 0.0 109.291 -168.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -136.19 -174.67 3.75 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.208 2.203 . . . . 0.0 108.224 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 m -118.31 145.01 45.41 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 171.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.66 156.51 48.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.821 1.248 . . . . 0.0 109.25 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 128.58 33.82 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 173.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.91 -32.63 70.93 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.496 1.044 . . . . 0.0 109.569 169.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -54.3 -14.97 1.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.857 2.463 . . . . 0.0 114.198 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -123.55 15.23 9.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.131 1.373 . . . . 0.0 110.637 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -123.78 155.85 30.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 125.739 1.616 . . . . 0.0 109.509 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.25 118.72 27.45 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.96 140.14 40.36 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -130.63 142.85 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.627 1.171 . . . . 0.0 108.516 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.29 36.71 20.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.599 1.56 . . . . 0.0 113.273 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -110.46 168.71 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.832 0.853 . . . . 0.0 110.642 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.45 151.83 43.21 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.514 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.11 -42.97 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.089 0.956 . . . . 0.0 111.974 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -72.9 -27.29 61.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.271 0.941 . . . . 0.0 111.069 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 105' ' ' VAL . 92.2 m -72.52 -49.2 34.53 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -45.74 90.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -63.08 -41.64 99.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.974 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.69 90.97 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.913 1.233 . . . . 0.0 111.042 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.55 -45.67 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.92 78.97 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.365 0.53 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.87 -42.77 94.57 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.044 0.938 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -62.97 -44.96 94.63 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 123.084 0.554 . . . . 0.0 110.63 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.52 -46.89 86.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.443 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -33.9 72.23 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.736 0.698 . . . . 0.0 110.74 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -58.86 -39.16 80.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.445 1.02 . . . . 0.0 111.146 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.02 -43.66 86.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.429 -0.795 . . . . 0.0 108.896 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 123.748 0.819 . . . . 0.0 112.332 174.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.175 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.62 1.85 3.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.16 0.984 . . . . 0.0 111.594 -173.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -129.61 145.49 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.698 1.199 . . . . 0.0 108.495 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -34.12 43.54 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.49 -43.77 65.96 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 119.63 1.104 . . . . 0.0 109.099 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.54 -38.43 87.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.051 0.54 . . . . 0.0 109.794 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -70.9 -32.03 68.86 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.446 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.24 96.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.95 0.795 . . . . 0.0 109.861 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -65.45 -42.78 91.99 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.246 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.31 -50.68 55.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 119.009 0.822 . . . . 0.0 111.18 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -53.83 -57.15 11.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.292 0.637 . . . . 0.0 110.834 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.2 -46.75 69.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.531 0.732 . . . . 0.0 111.315 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.11 -54.25 46.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.815 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -36.13 70.85 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.612 -175.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.62 -54.04 33.18 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.68 -38.6 88.39 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.138 0.881 . . . . 0.0 111.413 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.24 -26.47 68.8 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.2 m -87.55 -30.04 20.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.973 0.909 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.02 123.7 17.45 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.1 0.864 . . . . 0.0 108.689 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.67 48.86 1.11 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.893 1.277 . . . . 0.0 109.137 172.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -64.52 154.35 84.53 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.277 1.031 . . . . 0.0 111.38 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.69 154.18 95.66 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 119.22 0.757 . . . . 0.0 111.021 -10.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -144.82 -167.88 2.78 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.24 1.416 . . . . 0.0 108.224 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.38 167.39 20.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.486 1.039 . . . . 0.0 112.283 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.38 -178.46 37.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.412 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -116.8 121.7 42.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.59 107.9 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.56 49.17 1.53 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.919 1.688 . . . . 0.0 108.996 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 CA--C 1.52 -0.19 0 C-N-CA 124.83 1.252 . . . . 0.0 109.839 -169.187 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.43 92.71 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -96.47 119.79 35.6 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -70.39 132.33 45.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -139.18 146.49 25.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 123.131 0.573 . . . . 0.0 110.98 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.38 132.39 41.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 104.079 -2.564 . . . . 0.0 104.079 168.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.63 112.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.62 -30.18 41.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.89 0.876 . . . . 0.0 111.714 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.85 174.18 23.01 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.218 -2.353 . . . . 0.0 107.218 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.3 mtp -65.41 151.84 45.34 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 117.919 0.86 . . . . 0.0 111.087 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -70.49 176.03 2.16 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.372 1.469 . . . . 0.0 111.297 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 92.5 Cg_exo -46.84 147.76 4.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.311 2.674 . . . . 0.0 112.808 169.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.01 -40.45 67.02 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.82 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.74 -28.03 66.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.609 0.764 . . . . 0.0 112.033 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.7 -45.43 36.9 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.355 -0.84 . . . . 0.0 109.488 170.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.0 m -70.95 6.36 1.59 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.49 1.116 . . . . 0.0 113.274 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.58 -7.76 59.63 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.179 2.192 . . . . 0.0 112.404 -172.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -137.63 -30.62 0.82 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.147 0.979 . . . . 0.0 112.574 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.63 159.3 36.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -86.0 129.39 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.875 1.216 . . . . 0.0 109.0 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -132.39 157.05 45.53 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.128 0.971 . . . . 0.0 110.076 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.45 145.71 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 124.184 0.994 . . . . 0.0 109.583 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.76 140.73 42.54 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.13 144.11 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -169.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.8 138.64 49.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -84.07 61.93 6.76 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 124.924 1.29 . . . . 0.0 110.322 -170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -58.0 -17.5 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.198 -0.939 . . . . 0.0 112.836 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.36 -11.37 78.15 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.43 -1.206 . . . . 0.0 113.377 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.11 -44.58 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.447 1.623 . . . . 0.0 114.324 -170.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -161.79 73.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.536 1.935 . . . . 0.0 106.449 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.01 -30.9 6.67 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.954 1.702 . . . . 0.0 112.383 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.88 -15.13 63.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.913 1.285 . . . . 0.0 113.39 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -120.51 156.42 31.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.395 0.998 . . . . 0.0 111.774 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.15 144.69 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.471 1.508 . . . . 0.0 109.088 -168.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.92 -170.96 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.23 2.212 . . . . 0.0 107.953 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.6 m -118.63 144.85 45.88 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 169.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 152.7 51.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.664 1.186 . . . . 0.0 109.222 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -72.34 124.98 26.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.96 -35.67 79.16 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -53.52 -13.17 0.56 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.953 2.901 . . . . 0.0 114.218 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.45 15.59 8.91 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.467 1.107 . . . . 0.0 111.667 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -119.58 154.1 22.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.947 1.299 . . . . 0.0 109.547 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -121.75 118.59 29.43 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.9 139.38 39.23 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.5 mt -129.81 141.84 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.315 1.046 . . . . 0.0 108.654 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.48 38.27 25.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.539 1.536 . . . . 0.0 113.013 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -114.0 167.27 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.824 0.85 . . . . 0.0 110.826 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.51 152.4 45.28 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.921 0.889 . . . . 0.0 110.75 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.53 -40.61 68.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.579 1.152 . . . . 0.0 112.185 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.7 -31.17 63.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.334 0.97 . . . . 0.0 111.037 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG21 ' A' ' 105' ' ' VAL . 97.1 m -68.98 -50.71 46.61 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -45.77 85.63 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.72 -38.57 91.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.635 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.74 96.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.019 1.281 . . . . 0.0 110.484 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.27 -45.97 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.0 94.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.196 0.598 . . . . 0.0 110.355 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.09 -35.65 78.52 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.682 0.393 . . . . 0.0 111.472 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -61.02 -48.28 82.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.322 0.51 . . . . 0.0 110.493 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.36 -42.05 98.07 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -62.9 -46.06 89.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.203 1.001 . . . . 0.0 110.87 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -57.35 -46.13 83.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.593 0.633 . . . . 0.0 110.128 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.21 -32.07 73.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.49 0.586 . . . . 0.0 110.481 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.364 0 C-N-CA 123.346 0.658 . . . . 0.0 111.629 172.368 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -126.91 -6.58 6.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.747 1.219 . . . . 0.0 111.379 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.93 148.58 51.81 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.777 1.231 . . . . 0.0 108.87 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -54.8 -33.19 61.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.88 -42.29 90.5 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.688 1.131 . . . . 0.0 109.696 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -66.75 -38.44 86.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.131 0.572 . . . . 0.0 109.615 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -70.68 -29.65 66.02 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.643 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.94 94.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.018 0.826 . . . . 0.0 109.342 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.39 -39.3 85.58 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.707 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.0 -52.44 46.78 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 119.445 1.02 . . . . 0.0 111.179 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.27 -53.58 48.76 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.412 0.685 . . . . 0.0 111.206 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -55.85 -48.08 76.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.18 0.592 . . . . 0.0 111.047 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.68 -51.76 67.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.35 0.523 . . . . 0.0 110.053 -173.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -36.39 71.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.565 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.29 -51.7 62.24 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.722 0.692 . . . . 0.0 109.812 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.32 -39.78 84.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.633 0.651 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.3 -25.41 67.61 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -94.46 -35.61 12.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.727 0.811 . . . . 0.0 111.955 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.5 121.19 10.9 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.918 0.781 . . . . 0.0 108.919 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.51 48.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.933 1.293 . . . . 0.0 109.447 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -63.99 155.44 78.19 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 0.0 111.568 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.98 153.72 91.04 Favored 'Cis proline' 0 CA--C 1.538 0.68 0 CA-C-N 119.325 0.795 . . . . 0.0 111.185 -9.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -143.44 -171.69 3.55 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.086 1.354 . . . . 0.0 108.663 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ptm -129.81 167.04 18.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.546 1.066 . . . . 0.0 111.798 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.79 -176.43 37.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-O 122.182 0.879 . . . . 0.0 111.706 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -118.44 120.65 38.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.4 ' CZ2' ' HE2' ' A' ' 50' ' ' LYS . 4.4 t90 -77.43 108.99 10.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -82.14 48.49 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.16 1.784 . . . . 0.0 108.539 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HE2' ' CZ2' ' A' ' 48' ' ' TRP . 40.2 ttmt . . . . . 0 N--CA 1.463 0.212 0 C-N-CA 124.138 0.975 . . . . 0.0 110.496 -168.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.73 107.1 9.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -111.52 120.62 42.75 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -71.02 132.97 45.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.75 155.44 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.261 0.624 . . . . 0.0 111.379 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -107.91 115.75 30.71 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.36 114.14 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.1 mt -79.98 -28.24 39.54 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.249 0.62 . . . . 0.0 112.211 -169.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.37 177.7 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.2 mtp -64.4 149.58 48.09 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.673 . . . . 0.0 110.358 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 168.97 9.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.701 0.801 . . . . 0.0 109.311 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -47.99 141.53 16.99 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 170.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.88 -28.98 64.66 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.94 -31.25 70.79 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.396 1.078 . . . . 0.0 112.478 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.08 -32.02 21.61 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.887 -0.508 . . . . 0.0 110.119 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.29 18.64 0.2 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.61 -13.71 61.85 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.203 1.401 . . . . 0.0 112.434 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.47 -23.54 0.98 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.98 152.2 32.16 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -78.62 81.25 4.95 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -75.99 150.35 37.44 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.891 0.476 . . . . 0.0 110.221 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.54 142.06 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.306 1.042 . . . . 0.0 108.988 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.51 144.29 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -150.57 139.7 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -169.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.76 135.24 50.3 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -84.82 71.18 10.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.975 0.91 . . . . 0.0 109.921 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.6 pt -60.38 -9.78 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.97 -15.3 49.26 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 118.5 -1.166 . . . . 0.0 112.917 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -17.29 0.22 Allowed Glycine 0 CA--C 1.529 0.936 0 CA-C-N 119.254 1.527 . . . . 0.0 115.935 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -137.64 -44.53 0.54 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.596 1.698 . . . . 0.0 110.97 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.06 -26.74 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.384 3.074 . . . . 0.0 115.495 -171.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.52 7.33 22.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.81 1.644 . . . . 0.0 111.811 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -134.73 162.07 33.38 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.934 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.87 148.37 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.831 1.653 . . . . 0.0 109.848 -168.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -138.63 -170.44 2.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.689 2.395 . . . . 0.0 108.284 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.5 m -123.38 146.87 47.63 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.71 159.69 40.84 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.649 1.179 . . . . 0.0 110.042 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -81.19 127.25 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.88 -31.98 69.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.877 1.217 . . . . 0.0 109.992 171.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -51.93 -16.13 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.362 2.665 . . . . 0.0 114.517 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -124.21 13.85 8.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 111.556 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.08 156.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 125.66 1.584 . . . . 0.0 109.349 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.0 119.23 28.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 140.59 38.23 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.9 mt -130.87 144.11 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 124.81 1.244 . . . . 0.0 108.426 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.7 37.9 21.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.567 1.547 . . . . 0.0 113.27 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -111.81 168.92 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.72 152.0 45.27 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.994 0.918 . . . . 0.0 110.446 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.7 -42.43 75.23 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.194 0.998 . . . . 0.0 112.023 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -73.26 -28.89 62.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.207 0.912 . . . . 0.0 111.008 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 93.2 m -70.24 -50.55 38.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -44.78 90.58 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.07 -39.6 94.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.392 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.52 97.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.691 1.132 . . . . 0.0 110.602 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.37 -45.78 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.22 90.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.068 0.547 . . . . 0.0 110.069 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.55 -37.33 82.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.126 0.571 . . . . 0.0 111.882 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -59.43 -46.66 88.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.722 0.692 . . . . 0.0 110.266 170.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.07 -40.78 97.02 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.14 -0.35 . . . . 0.0 110.256 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.61 -43.36 97.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.478 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -60.1 -41.68 93.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.275 0.943 . . . . 0.0 110.836 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.64 -43.36 93.88 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.763 1.225 . . . . 0.0 112.555 177.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 121.078 0.466 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.88 5.0 2.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.712 0.805 . . . . 0.0 112.372 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.79 148.12 48.61 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.972 1.309 . . . . 0.0 108.023 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.52 -36.36 55.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.54 -43.09 73.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.435 1.016 . . . . 0.0 109.429 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -68.04 -38.93 83.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.38 0.672 . . . . 0.0 109.582 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.43 -29.33 64.76 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.795 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.2 91.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.969 0.804 . . . . 0.0 109.626 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mmt -67.18 -38.01 84.66 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.593 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.74 46.83 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 119.226 0.921 . . . . 0.0 111.295 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -53.34 -53.54 49.54 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.454 0.702 . . . . 0.0 110.972 171.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.141 0.577 . . . . 0.0 111.223 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.83 -50.88 64.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.49 0.586 . . . . 0.0 110.387 -171.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.18 76.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.182 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.23 -51.9 64.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.427 0.558 . . . . 0.0 109.896 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.24 -40.1 84.87 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.534 0.606 . . . . 0.0 111.016 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.41 -25.18 67.43 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -94.03 -36.55 12.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.89 0.876 . . . . 0.0 111.908 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.66 120.6 9.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.792 . . . . 0.0 109.105 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.92 49.22 1.33 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.918 1.287 . . . . 0.0 109.242 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -63.22 155.43 73.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 124.215 1.006 . . . . 0.0 111.423 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.76 156.14 92.92 Favored 'Cis proline' 0 CA--C 1.538 0.701 0 CA-C-N 119.384 0.816 . . . . 0.0 111.481 -9.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -145.24 -170.11 3.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.049 1.34 . . . . 0.0 109.106 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ptm -133.65 167.88 19.69 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.24 0.927 . . . . 0.0 111.601 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.17 -178.32 38.86 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 121.904 0.724 . . . . 0.0 112.349 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.2 123.54 49.14 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 169.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -76.22 102.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -77.55 52.56 0.99 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.846 1.659 . . . . 0.0 109.453 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt . . . . . 0 CA--C 1.523 -0.087 0 C-N-CA 123.63 0.772 . . . . 0.0 110.627 -169.407 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -131.05 115.91 17.07 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -169.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -129.42 126.48 38.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -71.94 134.24 45.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.03 155.63 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.328 0.651 . . . . 0.0 111.096 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -108.51 135.77 49.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.18 115.09 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -169.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.66 -26.2 32.36 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.149 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.99 -178.79 31.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -63.46 149.7 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.644 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.13 169.65 9.5 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.52 139.39 17.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.55 2.167 . . . . 0.0 112.0 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.16 -28.29 64.6 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.196 0.599 . . . . 0.0 111.196 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.79 -32.87 69.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.752 1.221 . . . . 0.0 112.424 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.12 -30.39 21.12 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.903 0.481 . . . . 0.0 110.236 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.33 20.67 0.39 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.155 0.982 . . . . 0.0 113.22 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -8.62 55.83 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.526 1.531 . . . . 0.0 113.348 -173.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -149.44 -21.56 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.79 143.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -173.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.97 128.6 33.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.685 0.675 . . . . 0.0 109.434 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -125.78 153.09 44.53 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.362 1.065 . . . . 0.0 109.35 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.36 144.86 32.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 124.227 1.011 . . . . 0.0 109.398 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.61 138.71 43.14 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 169.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.48 129.07 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -169.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.05 132.13 43.86 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -88.76 71.57 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.36 0.6 . . . . 0.0 110.69 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 pt -60.84 -5.7 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.24 -10.21 49.05 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.765 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.57 -16.02 0.08 OUTLIER Glycine 0 CA--C 1.532 1.11 0 CA-C-N 119.532 1.666 . . . . 0.0 116.252 -170.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -138.34 -38.97 0.53 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.023 1.912 . . . . 0.0 111.631 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.01 -24.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.25 3.02 . . . . 0.0 115.968 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -120.18 12.23 11.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.95 1.7 . . . . 0.0 111.165 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -138.03 161.24 37.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.457 1.103 . . . . 0.0 110.628 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.75 149.67 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.572 1.549 . . . . 0.0 110.842 -168.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -142.09 -167.22 2.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.94 2.496 . . . . 0.0 108.047 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -123.15 147.69 46.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.82 155.57 48.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.447 1.099 . . . . 0.0 109.656 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -74.8 125.65 29.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.76 -2.311 . . . . 0.0 104.76 171.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.01 -35.08 74.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.209 0.913 . . . . 0.0 109.403 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -52.24 -11.19 0.16 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.837 3.255 . . . . 0.0 114.52 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -128.14 13.05 6.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.438 1.095 . . . . 0.0 112.079 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.32 157.41 22.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.95 1.7 . . . . 0.0 108.901 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -125.06 135.9 53.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.71 142.54 27.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.5 mt -129.82 143.23 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.998 1.319 . . . . 0.0 108.246 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.51 36.71 21.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.523 1.529 . . . . 0.0 113.162 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 HG21 ' A' ' 109' ' ' THR . 4.4 p -110.51 169.96 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.991 0.916 . . . . 0.0 110.421 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.39 150.94 47.46 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.453 0.701 . . . . 0.0 110.286 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.13 -41.93 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.086 0.954 . . . . 0.0 111.859 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -73.41 -28.29 61.92 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.247 0.931 . . . . 0.0 111.074 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.483 HG21 HG21 ' A' ' 105' ' ' VAL . 94.2 m -70.17 -50.23 42.36 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.51 -45.63 88.39 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.21 -39.81 95.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.406 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.3 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.591 1.087 . . . . 0.0 110.536 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.26 -46.55 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.94 93.02 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.026 0.531 . . . . 0.0 110.409 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.12 -37.32 85.44 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.541 0.736 . . . . 0.0 111.539 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -62.26 -46.58 88.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.695 0.68 . . . . 0.0 110.669 171.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.65 -42.41 99.58 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.999 -0.438 . . . . 0.0 110.124 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -62.46 -48.73 78.35 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.244 0.475 . . . . 0.0 109.848 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -52.58 -45.18 66.38 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.352 0.661 . . . . 0.0 110.948 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -43.92 93.97 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.661 0 C-N-CA 123.161 0.584 . . . . 0.0 112.459 -172.39 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.65 6.93 2.51 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.995 0.918 . . . . 0.0 112.11 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -136.03 147.58 47.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.119 1.368 . . . . 0.0 107.911 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -33.5 46.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.99 -44.12 70.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.527 1.058 . . . . 0.0 109.248 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -69.37 -38.26 77.97 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.163 0.585 . . . . 0.0 109.693 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.5 -28.95 64.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.509 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.88 95.46 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.183 0.901 . . . . 0.0 109.364 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -67.3 -39.93 86.0 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.804 0.729 . . . . 0.0 111.844 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.4 50.58 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -53.69 -53.13 56.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.435 0.694 . . . . 0.0 110.671 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.99 -51.43 67.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.592 0.757 . . . . 0.0 111.292 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -70.64 -41.49 72.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.904 -169.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.89 1.223 . . . . 0.0 110.372 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.72 -53.95 43.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.467 0.576 . . . . 0.0 109.569 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.25 -40.44 85.98 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.695 0.68 . . . . 0.0 111.207 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.53 -27.19 68.79 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -86.75 -38.26 17.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.651 0.78 . . . . 0.0 111.173 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.4 mt -56.96 121.73 10.64 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.52 0.728 . . . . 0.0 109.852 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.67 52.11 0.97 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.587 1.955 . . . . 0.0 108.702 170.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -69.67 153.31 95.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 121.015 -1.053 . . . . 0.0 110.913 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.47 152.83 94.44 Favored 'Cis proline' 0 CA--C 1.538 0.723 0 CA-C-N 119.34 0.8 . . . . 0.0 110.711 -10.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.88 -170.78 3.1 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.839 1.256 . . . . 0.0 108.627 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 ptm -131.73 166.02 22.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 119.508 1.049 . . . . 0.0 111.594 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.0 -178.01 37.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 121.872 0.707 . . . . 0.0 112.346 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -117.73 121.09 39.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -78.29 107.73 11.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -81.11 53.31 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.603 1.561 . . . . 0.0 108.473 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt . . . . . 0 N--CA 1.461 0.1 0 C-N-CA 123.608 0.763 . . . . 0.0 109.476 -169.34 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 105.732 -1.951 . . . . 0.0 105.732 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -126.91 89.36 2.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -169.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -94.25 118.42 31.55 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 m -69.68 133.49 47.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.45 153.94 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 111.813 -171.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -104.54 133.15 49.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -109.6 111.37 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.6 -27.39 55.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.065 0.546 . . . . 0.0 111.768 -169.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.41 179.37 29.64 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -173.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.0 mtp -64.0 151.68 42.19 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.372 -0.487 . . . . 0.0 110.393 170.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 173.91 2.65 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.607 0.763 . . . . 0.0 109.15 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.32 144.19 31.59 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.133 1.889 . . . . 0.0 111.724 171.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -29.71 64.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.066 0.546 . . . . 0.0 111.062 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.67 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.84 0.856 . . . . 0.0 112.41 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -75.81 -42.58 49.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.73 24.68 0.37 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 114.297 -169.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -8.65 50.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.91 1.284 . . . . 0.0 111.984 173.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -138.57 -29.92 0.78 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.067 0.947 . . . . 0.0 112.963 -169.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -154.72 151.2 28.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.6 mmt -80.18 82.73 6.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -78.09 151.91 33.16 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.637 -0.665 . . . . 0.0 110.603 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -134.9 144.36 34.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.629 1.172 . . . . 0.0 109.042 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.03 139.34 40.02 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.6 p -145.36 139.26 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -169.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.25 137.55 52.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.624 1.17 . . . . 0.0 108.815 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -86.32 68.78 10.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.503 1.121 . . . . 0.0 110.626 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 pt -59.09 -16.84 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.696 -0.627 . . . . 0.0 112.412 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.72 -5.0 88.57 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.895 1.236 . . . . 0.0 113.133 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.42 -90.04 0.07 OUTLIER Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.459 1.63 . . . . 0.0 111.525 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.3 -38.51 77.21 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.051 0.926 . . . . 0.0 112.11 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 59.7 -24.51 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 130.357 3.463 . . . . 0.0 116.353 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.14 14.27 9.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.236 1.814 . . . . 0.0 110.806 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -134.9 161.32 35.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.851 1.26 . . . . 0.0 110.08 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.51 151.25 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.776 1.23 . . . . 0.0 110.522 -168.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.97 -169.42 3.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.858 2.463 . . . . 0.0 108.264 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 m -122.79 147.0 47.03 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 160.91 37.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.662 1.185 . . . . 0.0 109.865 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.48 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.82 126.68 31.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 171.193 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.39 -32.36 68.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.41 1.005 . . . . 0.0 109.095 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -52.79 -13.93 0.48 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.94 2.896 . . . . 0.0 114.331 172.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -127.34 12.83 7.07 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.619 1.168 . . . . 0.0 112.024 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mt -120.09 157.77 22.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 126.209 1.804 . . . . 0.0 108.822 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -124.78 134.91 52.61 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.27 141.88 30.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.12 140.39 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.854 1.262 . . . . 0.0 108.159 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 53.25 35.34 19.81 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.67 1.588 . . . . 0.0 113.474 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG21 HG21 ' A' ' 109' ' ' THR . 3.4 p -105.67 168.08 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.79 0.836 . . . . 0.0 110.392 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 156.76 34.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.512 0.725 . . . . 0.0 110.779 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.6 -40.78 84.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.39 0.676 . . . . 0.0 112.539 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.61 -40.79 76.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.274 0.943 . . . . 0.0 110.486 -176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.501 HG21 HG21 ' A' ' 105' ' ' VAL . 61.6 m -60.76 -51.03 71.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.5 1.12 . . . . 0.0 109.963 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.17 -45.14 94.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.262 0.483 . . . . 0.0 109.781 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.75 -37.39 87.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.717 0.69 . . . . 0.0 111.548 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.87 96.0 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.186 0.903 . . . . 0.0 110.117 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.68 -47.24 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.69 0.796 . . . . 0.0 109.142 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.37 92.22 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.419 0.687 . . . . 0.0 110.217 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.79 -32.65 72.53 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 118.13 -0.938 . . . . 0.0 112.039 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -62.45 -46.53 88.1 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.031 1.287 . . . . 0.0 110.297 170.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.8 -46.16 89.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.44 -44.96 95.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.132 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -55.52 -40.89 72.4 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.955 1.252 . . . . 0.0 110.935 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.46 -39.01 86.02 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.162 176.357 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.115 0.483 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.04 -30.7 0.79 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.616 1.166 . . . . 0.0 111.187 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.27 155.37 42.02 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.246 1.418 . . . . 0.0 108.813 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -28.35 55.25 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.736 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.8 -41.81 86.99 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 120.091 1.314 . . . . 0.0 108.971 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.44 -37.76 80.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.307 0.643 . . . . 0.0 109.944 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.06 -39.15 89.87 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.551 -0.718 . . . . 0.0 110.768 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.6 94.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.141 -0.456 . . . . 0.0 109.783 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -63.35 -42.11 98.89 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.627 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.08 -52.22 50.6 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.299 0.954 . . . . 0.0 111.434 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -52.67 -54.73 29.41 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.523 0.729 . . . . 0.0 110.599 171.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -56.28 -46.06 79.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.41 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -61.98 -52.71 62.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.908 0.776 . . . . 0.0 110.005 -173.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -37.39 74.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.206 -177.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.02 -51.7 55.95 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.24 0.616 . . . . 0.0 110.144 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.4 -39.13 89.59 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.424 0.69 . . . . 0.0 110.924 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.95 -27.63 68.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.5 m -83.06 -43.6 16.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.402 0.681 . . . . 0.0 110.87 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.97 119.61 5.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.587 1.155 . . . . 0.0 110.104 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.49 41.79 0.41 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.75 0.82 . . . . 0.0 111.268 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -58.4 154.21 34.17 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.032 0.933 . . . . 0.0 112.012 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -70.0 157.94 92.22 Favored 'Cis proline' 0 CA--C 1.537 0.663 0 CA-C-N 119.562 0.879 . . . . 0.0 111.85 -6.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -147.79 -165.92 2.39 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.579 1.552 . . . . 0.0 108.132 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.2 ptm -134.42 170.46 15.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 119.302 0.956 . . . . 0.0 112.31 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.15 -177.63 38.94 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-O 122.134 0.852 . . . . 0.0 111.708 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -117.15 118.64 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.32 109.2 11.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -81.17 47.89 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.75 1.62 . . . . 0.0 108.472 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt . . . . . 0 CA--C 1.52 -0.199 0 C-N-CA 123.896 0.878 . . . . 0.0 111.475 -168.799 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -82.32 94.79 7.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -97.93 118.09 33.71 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -69.11 132.39 46.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.81 146.88 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.253 0.621 . . . . 0.0 110.916 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.74 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 103.583 -2.747 . . . . 0.0 103.583 168.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.9 107.74 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.19 -30.59 63.64 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.26 0.624 . . . . 0.0 111.009 -169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 -178.07 33.2 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.97 154.36 34.32 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.347 0.594 . . . . 0.0 110.197 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 174.32 2.27 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.329 1.452 . . . . 0.0 111.566 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.61 153.35 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.62 2.88 . . . . 0.0 113.715 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.47 -39.82 61.6 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.663 1.185 . . . . 0.0 110.74 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.49 -31.85 67.59 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.039 0.936 . . . . 0.0 111.816 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.48 -44.52 57.77 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.5 m -70.82 1.14 5.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.874 0.87 . . . . 0.0 113.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -83.65 -9.04 59.15 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.055 1.742 . . . . 0.0 111.983 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.34 -24.96 0.95 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -157.47 156.79 32.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.205 1.402 . . . . 0.0 107.424 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -82.98 121.8 27.47 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 119.459 1.027 . . . . 0.0 109.185 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.08 155.16 46.63 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.2 1.0 . . . . 0.0 109.397 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.41 144.82 31.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.476 1.11 . . . . 0.0 108.83 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.24 137.96 35.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 m -142.54 138.81 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.405 0.682 . . . . 0.0 110.481 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.02 135.5 48.47 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.45 65.89 6.78 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 124.37 1.068 . . . . 0.0 110.477 -173.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 pt -58.77 -14.29 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.378 -0.826 . . . . 0.0 112.801 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.77 64.47 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.234 -1.314 . . . . 0.0 113.202 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.56 -25.78 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.555 1.677 . . . . 0.0 115.904 -169.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.45 -40.2 0.46 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.626 1.713 . . . . 0.0 111.607 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.4 t70 60.21 -32.89 0.07 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.683 3.193 . . . . 0.0 115.402 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.83 2.39 56.21 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.518 1.527 . . . . 0.0 113.203 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -138.2 163.43 31.75 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.238 -0.914 . . . . 0.0 110.407 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.79 151.35 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 125.553 1.541 . . . . 0.0 109.988 -169.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -144.25 -173.53 4.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.642 2.377 . . . . 0.0 107.6 -172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.9 m -123.47 147.82 46.8 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.89 150.17 49.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.976 1.311 . . . . 0.0 109.133 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 132.62 43.84 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.24 -30.16 69.23 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 m -53.57 -20.82 5.54 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.804 2.041 . . . . 0.0 114.055 173.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -114.52 14.72 17.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.792 0.724 . . . . 0.0 111.738 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mt -121.65 153.99 25.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 124.81 1.244 . . . . 0.0 109.781 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.06 119.12 27.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 139.12 38.53 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.58 147.07 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.762 1.225 . . . . 0.0 108.114 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.96 39.98 24.14 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.332 1.453 . . . . 0.0 112.779 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.473 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -118.46 166.44 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.232 1.013 . . . . 0.0 109.685 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.64 151.22 47.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 122.957 0.503 . . . . 0.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.67 -40.4 69.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.144 0.978 . . . . 0.0 111.871 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.36 -30.05 63.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.028 0.831 . . . . 0.0 111.24 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 105' ' ' VAL . 65.7 m -70.14 -48.87 55.59 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -46.47 86.92 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.33 -35.96 82.58 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.505 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.36 87.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.571 1.078 . . . . 0.0 110.489 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.94 -42.78 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.23 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.502 0.592 . . . . 0.0 110.542 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.27 -37.0 77.68 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.649 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -60.87 -45.09 95.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.737 0.699 . . . . 0.0 109.955 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.27 -41.27 98.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.389 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.45 -47.47 83.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.04 0.836 . . . . 0.0 110.44 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -56.73 -44.82 82.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.439 0.563 . . . . 0.0 111.17 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.74 -42.55 77.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 124.035 0.934 . . . . 0.0 111.672 175.558 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.63 4.59 2.85 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -170.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.14 147.08 52.57 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.086 1.354 . . . . 0.0 107.815 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.81 31.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -176.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.86 -45.73 56.71 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 120.057 1.299 . . . . 0.0 109.435 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.92 -37.4 85.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.018 0.527 . . . . 0.0 109.89 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -72.51 -32.24 65.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.281 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.086 0.857 . . . . 0.0 109.264 170.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.3 mmt -62.91 -43.4 98.9 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.504 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.27 -52.15 51.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 119.657 1.117 . . . . 0.0 111.494 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -56.87 -48.27 78.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.019 0.528 . . . . 0.0 110.949 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.67 -46.42 84.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.046 0.538 . . . . 0.0 111.097 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.32 -52.77 63.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 118.597 0.635 . . . . 0.0 110.249 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -37.72 77.43 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.006 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.08 -51.0 62.14 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.659 0.663 . . . . 0.0 110.037 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.02 -37.35 82.26 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.412 0.551 . . . . 0.0 110.933 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.41 -25.18 65.81 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 m -94.41 -33.36 13.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.703 0.801 . . . . 0.0 111.538 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.71 117.77 5.77 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.4 53.21 2.43 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.715 0.806 . . . . 0.0 109.023 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -60.73 157.64 37.33 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.784 1.234 . . . . 0.0 111.83 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.19 155.24 91.77 Favored 'Cis proline' 0 C--N 1.349 0.602 0 CA-C-N 119.341 0.8 . . . . 0.0 111.501 -8.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.91 -168.74 2.85 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.111 1.364 . . . . 0.0 108.615 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -136.09 168.89 18.53 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.428 1.013 . . . . 0.0 111.943 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.68 -177.32 39.01 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-O 122.127 0.849 . . . . 0.0 111.484 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -116.48 121.47 41.93 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -75.59 107.27 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 169.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.51 52.86 2.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.759 1.623 . . . . 0.0 107.586 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 CA--C 1.52 -0.191 0 C-N-CA 125.367 1.467 . . . . 0.0 109.932 -168.865 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.12 106.1 8.38 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -113.0 119.09 36.7 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -69.06 132.01 45.94 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.09 145.99 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.17 0.588 . . . . 0.0 110.822 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -96.8 130.7 44.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 168.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.25 114.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.96 -29.12 35.41 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.013 0.525 . . . . 0.0 111.68 -169.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.38 178.34 30.42 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.9 mtp -67.77 152.05 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.288 -0.537 . . . . 0.0 110.799 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 168.75 20.13 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 124.483 1.113 . . . . 0.0 111.557 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.08 156.67 7.16 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.682 2.922 . . . . 0.0 114.683 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -46.1 -37.3 6.69 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.585 1.954 . . . . 0.0 111.923 170.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.52 -19.54 57.36 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.205 1.002 . . . . 0.0 113.427 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -122.38 -34.09 3.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.171 0.988 . . . . 0.0 110.465 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.63 -1.48 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 175.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.36 -9.8 58.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.423 1.489 . . . . 0.0 112.354 171.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.32 -28.2 1.51 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.774 1.17 . . . . 0.0 113.615 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -154.32 154.99 34.3 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.574 1.079 . . . . 0.0 109.66 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -80.29 78.16 6.99 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.956 0.902 . . . . 0.0 108.905 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -82.39 153.68 25.6 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.309 0.643 . . . . 0.0 110.163 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.01 145.96 30.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 124.898 1.279 . . . . 0.0 108.695 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.69 140.02 34.58 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.72 143.88 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.385 0.674 . . . . 0.0 110.394 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.37 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -81.72 65.81 7.02 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 111.104 -171.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 pt -58.69 -17.76 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 121.546 -0.721 . . . . 0.0 112.515 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.37 -4.18 88.12 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.908 1.242 . . . . 0.0 113.046 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.99 -96.69 0.13 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 119.185 1.493 . . . . 0.0 111.14 -174.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -60.93 -34.98 75.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 117.632 0.716 . . . . 0.0 112.611 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.23 -26.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.362 3.465 . . . . 0.0 116.661 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.24 10.77 16.05 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.815 1.646 . . . . 0.0 111.385 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.54 164.48 28.62 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.321 1.048 . . . . 0.0 109.834 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.39 148.14 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.409 1.484 . . . . 0.0 109.648 -169.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -143.9 -170.64 3.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.589 2.356 . . . . 0.0 107.849 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.1 m -125.84 147.48 49.43 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.09 158.99 43.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.08 1.352 . . . . 0.0 109.706 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -80.71 126.27 31.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.65 -34.49 71.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.506 1.048 . . . . 0.0 109.752 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -52.63 -16.99 1.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.03 2.532 . . . . 0.0 114.346 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.79 12.95 9.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.488 1.115 . . . . 0.0 111.153 -173.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.52 154.18 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 125.677 1.591 . . . . 0.0 109.34 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.32 118.25 30.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.48 139.55 38.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.24 139.8 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.737 1.215 . . . . 0.0 107.909 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.9 t70 58.23 21.11 7.79 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.711 1.604 . . . . 0.0 113.79 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -75.67 163.73 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.269 1.028 . . . . 0.0 111.962 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.45 157.31 38.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.485 169.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.69 -43.91 80.98 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 112.059 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.38 -29.03 62.35 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.27 0.941 . . . . 0.0 110.766 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.9 m -68.07 -50.86 52.48 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.92 -46.65 84.69 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.593 0.633 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.4 -37.05 85.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.065 0.546 . . . . 0.0 111.104 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.0 86.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.025 0.83 . . . . 0.0 110.493 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.61 -46.57 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.34 91.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.306 0.643 . . . . 0.0 110.444 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.86 -37.32 84.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.771 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -61.56 -46.13 91.2 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.446 0.567 . . . . 0.0 110.502 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -44.1 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.043 0.383 . . . . 0.0 109.988 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.58 -42.18 98.33 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.15 0.58 . . . . 0.0 110.789 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.84 -45.76 91.39 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.947 0.794 . . . . 0.0 110.578 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.29 -37.97 86.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.842 0.747 . . . . 0.0 109.783 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.896 . . . . 0.0 112.039 175.302 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.059 0.457 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -143.47 -29.49 0.52 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.1 0.96 . . . . 0.0 111.944 169.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.09 149.09 26.45 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.258 0.936 . . . . 0.0 109.935 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -52.04 -38.64 57.71 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.64 -40.98 80.02 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.201 0.91 . . . . 0.0 109.273 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.984 0.514 . . . . 0.0 109.831 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -64.8 -41.42 95.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.081 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.64 98.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.329 0.513 . . . . 0.0 109.731 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mmt -63.93 -41.47 97.63 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.926 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.9 -51.83 55.87 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.387 0.994 . . . . 0.0 111.217 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -54.26 -51.59 64.08 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.152 0.581 . . . . 0.0 110.677 172.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.75 -46.85 81.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.585 0.63 . . . . 0.0 111.588 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -61.46 -51.99 66.39 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.75 0.704 . . . . 0.0 110.028 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.27 -37.86 74.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.224 -0.99 . . . . 0.0 110.136 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.81 -52.02 62.11 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.748 0.704 . . . . 0.0 110.019 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.08 -38.06 81.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.309 0.644 . . . . 0.0 111.079 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.91 -25.49 64.61 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -93.51 -37.25 12.02 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.864 0.865 . . . . 0.0 111.491 -174.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.36 116.27 3.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -81.82 51.8 1.8 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.647 0.737 . . . . 0.0 109.048 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -62.43 156.7 60.57 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 124.516 1.126 . . . . 0.0 111.587 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.91 154.62 90.99 Favored 'Cis proline' 0 CA--C 1.537 0.649 0 CA-C-N 119.322 0.793 . . . . 0.0 111.31 -9.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -144.24 -170.46 3.36 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.013 1.325 . . . . 0.0 108.427 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptm -131.37 167.15 19.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 119.387 0.994 . . . . 0.0 112.041 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.55 -175.34 36.7 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-O 122.198 0.888 . . . . 0.0 111.446 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -116.35 119.65 36.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 169.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.18 110.09 11.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -81.64 52.87 1.99 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.407 1.483 . . . . 0.0 107.633 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 CA--C 1.519 -0.221 0 C-N-CA 123.217 0.607 . . . . 0.0 109.755 -169.016 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.64 105.53 12.86 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -107.03 124.8 50.16 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -70.23 132.1 45.22 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.0 152.55 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 121.122 0.487 . . . . 0.0 111.346 -172.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -100.54 132.67 45.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -105.43 112.15 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.55 -30.43 46.88 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 111.866 -169.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.58 -178.97 31.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.991 -2.044 . . . . 0.0 107.991 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.9 mmm -64.68 153.2 40.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.413 0.625 . . . . 0.0 110.645 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.11 173.48 2.62 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.448 1.499 . . . . 0.0 111.139 171.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.25 152.7 3.45 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.475 2.784 . . . . 0.0 113.734 170.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.49 -34.87 64.96 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.687 1.195 . . . . 0.0 111.39 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.48 -33.2 75.37 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.517 0.727 . . . . 0.0 111.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.99 -45.11 28.5 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.94 -2.94 13.91 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.96 -11.1 59.82 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.392 1.477 . . . . 0.0 112.366 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -24.14 1.68 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -157.68 155.65 30.35 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.407 1.003 . . . . 0.0 108.664 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.62 112.87 18.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -123.84 152.29 42.47 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 109.02 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.73 144.75 32.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.46 1.104 . . . . 0.0 109.291 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.59 140.23 42.53 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.8 141.29 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.15 137.53 53.54 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.329 1.052 . . . . 0.0 108.753 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.72 64.95 8.78 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 111.17 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.84 -21.47 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.391 0.677 . . . . 0.0 112.745 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.68 -3.69 88.02 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.238 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -92.64 0.1 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 119.202 1.501 . . . . 0.0 111.063 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -59.39 -39.17 82.49 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.956 0.878 . . . . 0.0 112.122 -173.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t70 58.9 -26.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 130.32 3.448 . . . . 0.0 116.397 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -115.17 9.34 15.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.728 1.611 . . . . 0.0 111.428 -171.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -135.33 162.86 31.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.844 0.858 . . . . 0.0 110.789 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.15 149.0 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 125.534 1.534 . . . . 0.0 108.656 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -140.99 -170.09 2.97 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.57 2.348 . . . . 0.0 108.239 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -123.04 146.5 47.61 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.39 152.46 51.92 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 124.599 1.16 . . . . 0.0 109.424 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 129.75 38.23 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 169.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.66 -30.22 68.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.164 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -50.17 -20.42 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.334 2.654 . . . . 0.0 114.543 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -119.16 13.33 12.87 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.598 0.759 . . . . 0.0 111.989 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.04 154.64 20.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 125.312 1.445 . . . . 0.0 109.394 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.92 118.39 25.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.71 37.58 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.7 mt -131.04 144.79 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.624 1.17 . . . . 0.0 108.63 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 51.66 39.83 26.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.454 1.502 . . . . 0.0 112.849 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -117.98 165.21 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.826 0.85 . . . . 0.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 152.84 44.78 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.918 0.887 . . . . 0.0 110.79 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.82 -40.39 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.966 1.307 . . . . 0.0 112.36 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.1 -34.63 66.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.666 1.121 . . . . 0.0 111.029 -176.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 105' ' ' VAL . 99.9 m -67.97 -49.61 60.69 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.17 -43.18 96.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.167 0.587 . . . . 0.0 110.086 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.88 -42.47 89.59 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.71 91.98 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.179 0.445 . . . . 0.0 110.07 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.95 -45.4 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.47 -47.69 83.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.668 0.787 . . . . 0.0 109.865 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.86 -22.85 59.6 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -64.3 -47.77 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.153 1.342 . . . . 0.0 109.282 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.21 -44.19 97.14 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -59.26 -53.86 53.41 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.234 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -48.82 -42.1 35.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.084 1.354 . . . . 0.0 112.353 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.8 -50.99 71.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.427 -176.635 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.76 -0.46 3.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.881 0.873 . . . . 0.0 112.189 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -138.93 151.81 47.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.896 1.278 . . . . 0.0 108.671 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -33.41 61.52 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.53 -42.14 75.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.489 1.04 . . . . 0.0 108.968 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.79 -36.41 80.4 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.735 -0.603 . . . . 0.0 110.065 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -64.58 -39.86 94.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.392 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.67 96.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.048 0.84 . . . . 0.0 109.887 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 mmt -64.98 -40.19 94.6 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.818 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.16 -50.56 66.36 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -53.85 -54.02 44.31 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 110.666 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.45 -47.22 82.4 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.157 0.583 . . . . 0.0 110.533 -176.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -58.41 -55.59 33.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.804 0.842 . . . . 0.0 110.366 -172.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -36.34 69.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.854 -0.739 . . . . 0.0 110.151 -176.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.44 -51.24 64.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.788 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.62 -38.06 83.5 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.914 0.779 . . . . 0.0 111.039 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.31 -24.25 66.51 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -95.32 -35.46 11.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.173 0.989 . . . . 0.0 111.822 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.93 121.17 10.51 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -81.33 48.76 1.19 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.996 1.318 . . . . 0.0 109.403 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -64.35 154.72 82.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 111.583 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.58 152.57 92.0 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.235 0.763 . . . . 0.0 111.009 -9.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.3 -171.62 3.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.11 1.364 . . . . 0.0 108.619 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptm -130.17 167.92 17.62 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.563 1.074 . . . . 0.0 111.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.97 -176.54 38.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-O 121.932 0.74 . . . . 0.0 111.711 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -118.45 119.71 35.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.01 109.28 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -80.04 52.51 1.54 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.11 1.364 . . . . 0.0 109.469 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt . . . . . 0 C--N 1.333 -0.113 0 C-N-CA 124.057 0.943 . . . . 0.0 109.903 -169.506 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 N--CA 1.449 -0.503 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.28 101.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -169.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -103.28 123.04 46.03 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -69.1 132.77 47.11 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.49 153.38 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 122.756 0.423 . . . . 0.0 110.996 -172.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.83 119.02 38.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -89.56 115.09 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.12 -28.01 29.75 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.2 178.22 32.03 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.778 -2.129 . . . . 0.0 107.778 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.2 mtp -65.59 151.88 45.42 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.998 -0.707 . . . . 0.0 110.704 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.29 171.54 4.77 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.023 1.329 . . . . 0.0 111.087 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.74 152.1 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.354 2.703 . . . . 0.0 113.624 170.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.93 -35.28 64.04 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.095 1.358 . . . . 0.0 111.441 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.96 -29.18 64.0 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.968 0.907 . . . . 0.0 112.225 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.96 -50.23 36.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 171.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.1 m -71.87 7.15 1.67 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.428 1.491 . . . . 0.0 114.478 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -13.24 61.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.044 1.737 . . . . 0.0 111.945 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -146.11 -23.95 0.45 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -169.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.41 152.31 25.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -84.55 120.69 26.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -127.09 154.56 44.56 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.328 1.051 . . . . 0.0 108.999 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -136.76 144.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.828 0.851 . . . . 0.0 109.425 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.87 142.51 44.09 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.92 141.35 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -169.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.16 136.11 53.46 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -86.34 65.73 9.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.006 0.923 . . . . 0.0 111.095 -171.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.3 pt -57.06 -21.58 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.05 -4.54 88.35 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.886 1.231 . . . . 0.0 113.098 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.76 -93.1 0.11 Allowed Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.149 1.474 . . . . 0.0 111.079 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -60.73 -37.32 81.35 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.81 0.805 . . . . 0.0 112.215 -172.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 59.52 -26.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.392 3.477 . . . . 0.0 116.603 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.29 9.31 15.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.703 1.601 . . . . 0.0 111.306 -172.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -135.82 163.59 29.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.85 147.19 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 126.01 1.724 . . . . 0.0 109.03 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -139.55 -168.35 2.46 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.358 2.263 . . . . 0.0 108.415 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.7 m -122.72 146.06 47.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 153.71 47.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 124.673 1.189 . . . . 0.0 109.712 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -73.39 128.17 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.74 -33.96 72.33 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.274 0.943 . . . . 0.0 109.961 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -54.04 -17.21 2.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 114.441 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.97 11.96 15.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.924 0.89 . . . . 0.0 111.708 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -120.33 153.92 23.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.567 1.547 . . . . 0.0 109.449 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.36 118.78 32.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 139.39 40.62 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.58 143.13 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.755 1.222 . . . . 0.0 108.366 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.58 36.02 19.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.641 1.576 . . . . 0.0 113.186 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.535 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -108.76 168.84 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.899 0.88 . . . . 0.0 110.59 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.15 151.71 46.36 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 110.417 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.47 -41.87 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.245 1.018 . . . . 0.0 111.906 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.65 -28.78 61.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.078 0.854 . . . . 0.0 111.086 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 105' ' ' VAL . 97.2 m -69.8 -50.6 41.42 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -45.6 88.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.14 -37.85 88.96 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.543 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.73 95.13 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.445 1.02 . . . . 0.0 110.377 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -68.01 -43.88 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.8 94.38 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.069 0.547 . . . . 0.0 110.359 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.02 -35.76 80.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.471 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -61.13 -46.48 90.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.967 0.803 . . . . 0.0 110.565 170.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.68 -45.61 92.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.061 -0.399 . . . . 0.0 109.971 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.05 -38.93 92.43 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.817 0.447 . . . . 0.0 111.0 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.92 -45.66 91.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 119.352 0.978 . . . . 0.0 110.596 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.43 -42.78 95.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 123.534 0.734 . . . . 0.0 111.72 174.432 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.75 0.31 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.94 -19.41 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.432 1.493 . . . . 0.0 110.565 171.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -115.28 153.26 31.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.412 1.085 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -46.25 -38.85 9.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.41 1.484 . . . . 0.0 112.813 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.06 -39.58 72.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.876 0.762 . . . . 0.0 109.38 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.09 -41.13 74.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -61.45 -40.51 94.74 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.055 173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.16 96.91 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.898 -0.573 . . . . 0.0 110.535 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.18 -43.17 92.53 Favored 'General case' 0 C--N 1.337 0.06 0 CA-C-N 118.822 0.737 . . . . 0.0 111.417 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.49 -54.12 36.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.211 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -52.42 -56.4 15.28 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.476 0.71 . . . . 0.0 110.43 172.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -53.99 -48.5 70.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.56 0.744 . . . . 0.0 111.523 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.06 -51.08 68.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.097 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -38.01 77.92 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.389 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.66 -53.75 30.62 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -172.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.76 -38.47 88.13 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.98 0.809 . . . . 0.0 111.532 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.28 -27.6 69.45 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -85.38 -32.18 22.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.856 0.863 . . . . 0.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.2 122.86 14.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.053 0.842 . . . . 0.0 109.1 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -81.31 47.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.937 1.295 . . . . 0.0 109.327 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -67.07 156.98 86.45 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.587 1.155 . . . . 0.0 112.061 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -64.98 155.34 76.52 Favored 'Cis proline' 0 C--N 1.351 0.678 0 CA-C-N 119.42 0.829 . . . . 0.0 111.558 -10.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.7 -169.36 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.964 1.305 . . . . 0.0 108.459 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptm -130.97 169.47 15.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 122.067 0.937 . . . . 0.0 111.692 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.44 -177.42 38.95 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.98 124.78 51.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 169.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.55 104.8 7.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 169.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -85.02 52.45 2.44 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.761 1.624 . . . . 0.0 108.495 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt . . . . . 0 CA--C 1.52 -0.178 0 C-N-CA 123.949 0.9 . . . . 0.0 109.401 -169.478 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.13 115.44 16.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -128.49 126.2 39.98 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.4 m -72.99 135.01 44.9 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.23 157.42 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.479 0.712 . . . . 0.0 111.104 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.98 118.13 35.63 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.29 119.72 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -86.64 -21.32 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -169.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 179.09 23.42 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 107.31 -2.316 . . . . 0.0 107.31 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -61.93 151.18 35.53 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 169.82 4.13 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.769 0.828 . . . . 0.0 109.855 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -50.51 152.58 8.74 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.396 2.064 . . . . 0.0 112.126 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.58 -28.82 65.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.639 0.376 . . . . 0.0 111.146 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.48 -34.17 73.65 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.712 0.805 . . . . 0.0 111.891 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.31 -43.14 17.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.941 -0.474 . . . . 0.0 110.027 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.3 m -77.31 14.63 0.9 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.64 -10.01 59.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.752 1.221 . . . . 0.0 112.446 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -134.0 -24.73 1.65 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.526 0.73 . . . . 0.0 112.941 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -160.59 161.65 32.61 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -80.54 117.98 21.73 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -125.83 152.87 44.9 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.325 1.05 . . . . 0.0 109.486 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.24 141.55 45.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.919 0.888 . . . . 0.0 109.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.73 141.65 39.18 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.42 130.53 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.86 133.73 41.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -89.81 70.38 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.912 0.485 . . . . 0.0 110.968 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.85 -13.86 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 -31.64 11.13 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.229 0.918 . . . . 0.0 112.113 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.86 -20.81 3.35 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.399 -1.223 . . . . 0.0 115.243 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -139.49 -41.94 0.45 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.612 1.706 . . . . 0.0 112.128 -175.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.49 -27.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.338 3.055 . . . . 0.0 115.399 -170.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -107.42 5.91 27.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 111.979 -172.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -138.25 162.81 33.35 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.679 0.791 . . . . 0.0 111.264 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.0 p -135.36 149.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.319 1.847 . . . . 0.0 110.115 -169.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -141.93 -172.23 3.52 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.262 2.225 . . . . 0.0 108.203 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -122.63 148.11 45.64 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 170.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 156.09 49.29 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.441 1.096 . . . . 0.0 110.047 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 132.2 44.14 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 173.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.49 -34.16 73.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.994 0.815 . . . . 0.0 110.035 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -56.96 -15.48 5.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.0 2.12 . . . . 0.0 114.335 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -118.72 13.78 13.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.296 1.038 . . . . 0.0 111.379 -169.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -124.69 155.02 32.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 125.705 1.602 . . . . 0.0 109.173 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -124.26 119.12 28.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.79 138.64 38.3 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.4 mt -131.37 147.14 32.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 108.426 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.79 40.31 24.24 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.538 1.535 . . . . 0.0 112.77 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 109' ' ' THR . 4.0 p -118.05 168.15 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 110.483 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.21 151.71 46.4 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.592 0.757 . . . . 0.0 110.358 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.85 -41.85 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.245 1.018 . . . . 0.0 111.802 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -73.62 -29.07 62.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.103 0.865 . . . . 0.0 111.169 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.557 HG21 HG21 ' A' ' 105' ' ' VAL . 97.6 m -69.48 -50.8 41.96 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -45.92 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.16 -37.01 85.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.682 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.7 97.82 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.891 1.223 . . . . 0.0 110.543 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.9 -44.33 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.5 85.54 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.181 0.593 . . . . 0.0 110.467 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.71 -37.74 85.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.892 0.477 . . . . 0.0 111.786 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -61.14 -46.49 90.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.578 0.627 . . . . 0.0 110.387 171.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.37 -43.09 99.64 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.567 0.347 . . . . 0.0 110.08 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.32 -47.28 84.96 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.457 0.703 . . . . 0.0 110.219 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.09 -45.89 75.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.948 0.795 . . . . 0.0 110.795 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.36 -44.31 95.18 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.52 0 C-N-CA 123.938 0.895 . . . . 0.0 112.272 178.052 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.332 0 CA-C-O 121.255 0.55 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -141.53 -8.93 0.96 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.402 1.081 . . . . 0.0 112.492 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -143.67 156.46 44.55 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.125 1.37 . . . . 0.0 108.668 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -52.32 -37.87 57.0 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.91 -37.28 75.9 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.72 1.145 . . . . 0.0 109.857 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -70.07 -39.97 75.32 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.771 -0.58 . . . . 0.0 109.448 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -59.97 -42.73 94.77 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.863 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.64 92.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.307 0.503 . . . . 0.0 110.768 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -69.99 -37.86 75.83 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.934 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 -48.63 85.1 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -57.35 -52.56 64.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.592 0.757 . . . . 0.0 111.119 172.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.9 -46.89 78.24 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.886 0.474 . . . . 0.0 110.363 -176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -58.24 -56.71 18.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.037 0.935 . . . . 0.0 110.521 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.17 -37.16 75.1 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.135 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.57 -50.09 66.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.687 0.676 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.85 -39.2 84.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.646 0.657 . . . . 0.0 110.873 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.16 -22.72 65.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -97.52 -34.81 10.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.926 0.89 . . . . 0.0 111.623 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.5 117.38 4.81 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.48 51.68 1.71 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.761 0.824 . . . . 0.0 109.065 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -61.86 157.51 49.51 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 111.691 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.91 155.06 91.06 Favored 'Cis proline' 0 C--N 1.35 0.609 0 CA-C-N 119.279 0.778 . . . . 0.0 111.222 -9.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.15 -169.46 3.12 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.083 1.353 . . . . 0.0 108.206 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.79 165.82 24.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.643 1.11 . . . . 0.0 112.079 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.09 -179.96 37.93 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.292 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -115.56 123.58 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.18 106.1 8.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 169.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -82.61 50.42 1.66 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.259 1.824 . . . . 0.0 108.695 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 N--CA 1.463 0.225 0 C-N-CA 124.637 1.175 . . . . 0.0 109.894 -169.361 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.41 102.92 6.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -169.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -109.63 109.49 20.26 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.689 1.196 . . . . 0.0 108.794 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -64.45 133.09 51.78 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.73 145.35 25.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.354 0.662 . . . . 0.0 110.924 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.67 125.05 42.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -98.31 114.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -173.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.66 -26.98 34.28 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.515 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.7 -175.82 33.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mmm -64.23 153.36 38.26 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.245 0.545 . . . . 0.0 110.488 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.56 171.62 4.92 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.279 1.031 . . . . 0.0 109.986 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.12 150.14 10.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.764 2.309 . . . . 0.0 112.395 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.27 -27.26 65.65 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.124 0.57 . . . . 0.0 111.636 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.11 -33.82 76.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.47 0.708 . . . . 0.0 111.904 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -76.53 -43.77 37.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -75.49 8.18 3.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -170.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.7 -4.96 57.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.482 1.113 . . . . 0.0 113.03 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -142.94 -20.76 0.65 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -160.25 150.04 17.94 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -80.26 121.98 26.31 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.277 1.399 . . . . 0.0 110.193 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -123.74 151.91 42.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.396 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.22 146.89 28.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.228 1.011 . . . . 0.0 109.043 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.63 137.58 35.44 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.75 131.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.484 0.713 . . . . 0.0 110.074 -172.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.3 134.74 40.19 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -83.1 64.66 7.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.468 1.107 . . . . 0.0 110.611 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.0 pt -58.89 -18.0 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.491 -0.756 . . . . 0.0 112.383 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.47 1.81 88.49 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.247 1.403 . . . . 0.0 113.243 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.23 -92.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 CA-C-N 119.358 1.579 . . . . 0.0 111.475 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -59.7 -37.19 78.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.834 0.817 . . . . 0.0 112.339 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.02 -24.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 129.797 3.239 . . . . 0.0 115.748 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.22 11.46 12.32 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.248 1.819 . . . . 0.0 111.154 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -135.12 162.66 31.88 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.203 1.001 . . . . 0.0 110.342 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.46 150.19 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.711 1.604 . . . . 0.0 110.494 -168.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -141.12 -172.78 3.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.7 2.4 . . . . 0.0 108.12 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 m -120.41 148.43 43.79 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.34 48.4 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.367 1.067 . . . . 0.0 109.486 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 129.03 37.42 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 171.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.63 -30.62 69.98 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.003 0.365 . . . . 0.0 110.525 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -50.89 -24.89 3.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.084 2.154 . . . . 0.0 113.614 171.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -110.96 12.7 22.14 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.194 0.998 . . . . 0.0 111.525 -169.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.93 154.35 26.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 125.277 1.431 . . . . 0.0 109.534 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -125.41 118.47 25.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.36 139.63 42.52 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.28 139.52 51.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.546 1.138 . . . . 0.0 108.576 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 51.83 36.14 17.28 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.676 1.59 . . . . 0.0 113.084 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -106.21 165.58 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.633 0.773 . . . . 0.0 110.523 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 157.91 33.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 123.49 0.716 . . . . 0.0 110.904 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.67 -41.64 81.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.466 -176.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.68 -40.54 72.89 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.143 0.883 . . . . 0.0 110.44 -175.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 61.2 m -60.09 -51.23 70.5 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.823 0.849 . . . . 0.0 109.89 173.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.26 -47.14 86.46 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.44 -34.89 77.68 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.488 0.715 . . . . 0.0 111.843 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.16 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.686 0.676 . . . . 0.0 110.909 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.62 -43.18 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.24 76.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.981 0.513 . . . . 0.0 110.168 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.19 -42.86 99.68 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.037 0.38 . . . . 0.0 111.739 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -60.18 -46.1 90.86 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.591 0.356 . . . . 0.0 110.184 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.17 -43.58 97.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.037 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -60.41 -53.22 60.21 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.328 0.513 . . . . 0.0 109.71 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -55.94 -44.82 78.77 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.582 0.753 . . . . 0.0 111.03 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.14 -42.98 99.58 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 -173.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 123.42 0.688 . . . . 0.0 111.967 177.667 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.6 -12.68 57.52 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -143.47 151.28 40.13 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.119 0.968 . . . . 0.0 109.898 -169.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -30.46 26.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.63 -42.77 61.01 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.565 1.075 . . . . 0.0 108.624 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.73 -36.62 84.89 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.771 -0.581 . . . . 0.0 109.696 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -69.53 -33.61 73.05 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.49 -0.756 . . . . 0.0 110.747 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.23 95.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.515 0.598 . . . . 0.0 110.016 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.1 mmt -65.12 -39.62 93.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.821 0.737 . . . . 0.0 111.622 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.55 77.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.83 -53.76 51.14 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.016 0.526 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -57.26 -46.06 83.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.439 0.696 . . . . 0.0 110.327 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -58.57 -55.07 39.74 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 110.284 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -35.52 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.771 -0.771 . . . . 0.0 110.448 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.26 -49.81 68.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.549 0.613 . . . . 0.0 109.86 -177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.92 -39.94 87.19 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.284 0.633 . . . . 0.0 110.851 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.32 -25.02 66.63 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.1 m -95.41 -36.15 11.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.573 0.749 . . . . 0.0 111.621 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.69 119.3 8.42 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -84.12 51.83 2.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.743 0.817 . . . . 0.0 109.248 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -61.93 158.12 45.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 124.547 1.139 . . . . 0.0 111.987 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.76 155.73 90.23 Favored 'Cis proline' 0 C--N 1.35 0.657 0 CA-C-N 119.458 0.842 . . . . 0.0 111.727 -7.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -143.8 -168.85 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.377 1.471 . . . . 0.0 108.284 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.39 169.02 17.86 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.039 -1.038 . . . . 0.0 111.752 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.85 -177.79 39.41 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-O 122.174 0.874 . . . . 0.0 111.345 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.63 122.93 47.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.3 106.86 9.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 169.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.81 49.99 1.72 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.598 1.559 . . . . 0.0 108.404 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.227 -0.1 0 C-N-CA 124.811 1.244 . . . . 0.0 110.729 -168.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -128.32 112.59 14.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -118.07 121.28 40.19 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -70.11 131.73 44.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.74 146.81 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.964 0.506 . . . . 0.0 110.644 -174.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.75 118.0 32.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.31 107.82 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.01 -29.69 60.93 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.242 0.617 . . . . 0.0 111.577 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.6 178.31 32.5 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 107.605 -2.198 . . . . 0.0 107.605 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mtp -63.58 151.44 41.54 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 122.149 -0.618 . . . . 0.0 110.226 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.79 168.21 9.37 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.405 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.08 152.55 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.56 2.173 . . . . 0.0 112.338 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -58.56 -28.58 65.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.826 0.45 . . . . 0.0 111.204 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.53 -28.99 70.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.836 0.854 . . . . 0.0 112.294 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -81.81 -42.99 18.91 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.63 20.16 0.24 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.281 1.032 . . . . 0.0 113.648 -174.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -15.51 62.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.762 2.025 . . . . 0.0 112.371 -175.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -148.83 -19.35 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -174.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -154.04 152.37 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 -175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -87.8 124.31 33.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 118.999 0.818 . . . . 0.0 109.143 -173.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -127.1 154.57 44.55 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.328 1.051 . . . . 0.0 109.778 -175.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.29 144.66 32.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.979 0.911 . . . . 0.0 109.008 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.19 141.83 38.38 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.81 138.17 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -169.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.03 135.99 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.55 64.7 8.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 111.415 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.1 pt -58.19 -19.01 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 O-C-N 121.637 -0.664 . . . . 0.0 112.609 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.29 -2.62 87.61 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.917 1.246 . . . . 0.0 113.12 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.93 -96.47 0.13 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 119.255 1.528 . . . . 0.0 111.156 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 117.782 0.791 . . . . 0.0 112.503 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.64 -24.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 130.007 3.323 . . . . 0.0 115.953 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.68 11.22 12.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.179 1.792 . . . . 0.0 111.049 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -133.91 162.67 31.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 110.601 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.15 148.95 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.883 1.673 . . . . 0.0 110.381 -168.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.48 -175.25 4.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.285 2.234 . . . . 0.0 108.279 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.0 m -119.15 144.42 46.67 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 169.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.32 152.08 51.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.689 1.196 . . . . 0.0 109.284 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 131.06 42.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 172.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.94 -33.75 73.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.101 0.864 . . . . 0.0 109.882 172.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -56.1 -16.93 5.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.158 2.183 . . . . 0.0 113.84 174.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -117.1 15.12 15.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.722 1.209 . . . . 0.0 111.041 -171.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.37 153.87 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.403 1.481 . . . . 0.0 109.593 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -121.15 118.93 30.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.566 -2.012 . . . . 0.0 105.566 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.44 140.06 38.68 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -130.29 141.3 46.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.882 1.273 . . . . 0.0 107.909 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.44 24.7 8.78 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.692 1.597 . . . . 0.0 113.798 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.06 163.61 3.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.221 1.008 . . . . 0.0 111.908 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.54 157.07 38.65 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.367 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.17 -43.71 78.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.706 0.802 . . . . 0.0 112.077 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.43 -29.16 61.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.261 0.937 . . . . 0.0 110.824 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 69.8 m -68.21 -50.39 54.43 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.71 -48.37 79.76 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.346 0.659 . . . . 0.0 109.86 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.77 -35.27 80.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.459 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.78 91.44 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.588 1.085 . . . . 0.0 110.623 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.78 -45.01 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.94 91.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.146 0.578 . . . . 0.0 110.139 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.71 -38.92 90.53 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.847 0.459 . . . . 0.0 111.003 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -60.09 -48.98 79.47 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.393 0.542 . . . . 0.0 110.735 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.88 -45.38 94.81 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -62.56 -46.68 87.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.204 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -57.87 -45.14 86.76 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.643 1.11 . . . . 0.0 110.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.0 -42.34 97.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 123.691 0.796 . . . . 0.0 112.383 176.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.32 4.16 2.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.725 0.81 . . . . 0.0 111.805 -172.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -138.69 149.53 45.22 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 108.533 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -52.6 -36.51 56.35 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.42 -42.77 74.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.637 1.108 . . . . 0.0 109.416 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.57 -37.56 79.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.199 0.599 . . . . 0.0 109.614 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -72.23 -29.69 64.19 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.307 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.5 96.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.408 1.004 . . . . 0.0 109.489 169.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.61 -40.16 92.31 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.722 -0.656 . . . . 0.0 111.5 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -50.88 61.61 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.264 0.938 . . . . 0.0 111.534 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -53.27 -53.4 51.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.457 0.703 . . . . 0.0 110.32 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -55.6 -47.44 76.49 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.466 0.706 . . . . 0.0 111.407 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.97 -50.69 65.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.905 0.775 . . . . 0.0 110.259 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -35.79 75.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.201 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.27 -52.2 63.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.436 0.562 . . . . 0.0 109.925 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.95 -40.99 86.36 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.283 0.633 . . . . 0.0 110.833 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.64 -25.2 67.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.2 m -93.32 -37.53 11.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.912 0.885 . . . . 0.0 111.714 -175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.74 122.29 13.18 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -82.09 48.77 1.29 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.093 1.357 . . . . 0.0 109.523 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -63.88 154.77 80.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.025 0.93 . . . . 0.0 111.529 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.15 152.85 91.17 Favored 'Cis proline' 0 CA--C 1.538 0.695 0 CA-C-N 119.27 0.775 . . . . 0.0 111.481 -8.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.05 -168.5 2.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.483 1.513 . . . . 0.0 108.418 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.5 ptm -135.23 166.76 22.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.516 1.053 . . . . 0.0 111.746 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.29 -178.34 38.94 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.172 0.873 . . . . 0.0 111.621 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.64 119.65 36.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 170.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.43 111.21 11.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 169.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -82.44 49.61 1.48 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.368 1.467 . . . . 0.0 108.45 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt . . . . . 0 CA--C 1.519 -0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 109.632 -169.453 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -82.12 95.98 7.65 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -98.47 117.86 33.85 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -69.32 133.11 47.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.67 145.84 26.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.409 0.684 . . . . 0.0 110.843 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.41 117.61 32.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -88.18 109.73 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.96 -29.84 50.01 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.248 0.619 . . . . 0.0 111.893 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.22 177.48 32.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.505 -2.238 . . . . 0.0 107.505 -174.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.76 150.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.064 -0.668 . . . . 0.0 110.55 172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.81 168.49 8.66 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.105 0.962 . . . . 0.0 109.647 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.51 145.25 12.43 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.613 2.208 . . . . 0.0 112.098 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -28.17 63.63 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.281 0.632 . . . . 0.0 111.271 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.68 -35.36 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.198 0.999 . . . . 0.0 112.357 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -79.46 -37.29 37.26 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.326 0.512 . . . . 0.0 110.293 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.9 m -76.01 15.05 0.59 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -9.33 58.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.645 1.578 . . . . 0.0 112.563 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -137.35 -34.14 0.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.043 0.937 . . . . 0.0 112.771 -169.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -157.31 156.52 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -85.14 129.63 34.76 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.507 1.049 . . . . 0.0 109.225 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 154.23 46.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.227 1.011 . . . . 0.0 109.868 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.98 145.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 124.285 1.034 . . . . 0.0 109.125 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.16 140.86 37.65 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.08 136.62 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -172.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.09 133.71 42.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -83.04 67.75 9.24 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.772 0.829 . . . . 0.0 110.072 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 pt -60.18 -10.97 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.653 0.781 . . . . 0.0 113.035 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.02 -12.37 57.76 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 118.301 -1.277 . . . . 0.0 113.224 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.13 -22.95 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 CA-C-N 119.553 1.677 . . . . 0.0 116.02 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -137.89 -40.21 0.55 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.544 1.672 . . . . 0.0 111.446 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 59.69 -28.9 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.408 3.083 . . . . 0.0 115.227 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -105.53 5.48 31.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.656 1.582 . . . . 0.0 112.06 -172.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -134.73 161.32 35.48 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.66 0.784 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -131.59 147.58 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.107 1.763 . . . . 0.0 110.054 -168.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -139.46 -172.23 3.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.63 2.372 . . . . 0.0 108.151 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -120.03 147.5 44.72 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.1 51.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.988 1.315 . . . . 0.0 109.628 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -71.86 125.37 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.36 -36.74 78.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.107 0.867 . . . . 0.0 108.942 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 m -54.29 -11.01 0.44 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 129.23 3.012 . . . . 0.0 114.202 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -125.28 13.44 8.27 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.651 1.18 . . . . 0.0 111.676 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.7 154.98 15.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 125.522 1.529 . . . . 0.0 109.128 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.11 118.17 29.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 173.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.51 137.96 38.18 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.5 mt -129.12 136.75 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.66 1.184 . . . . 0.0 108.112 -176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 58.53 23.59 10.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.757 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.48 165.45 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.399 1.079 . . . . 0.0 112.141 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.1 156.69 38.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.02 -44.25 82.66 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.6 0.76 . . . . 0.0 112.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.25 -28.76 62.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.105 0.866 . . . . 0.0 110.811 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.7 m -68.18 -50.41 54.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -46.69 84.77 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.099 0.559 . . . . 0.0 109.764 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.59 -37.19 86.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.157 0.583 . . . . 0.0 111.359 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.69 81.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.991 0.814 . . . . 0.0 110.222 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.38 -47.89 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.68 90.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.609 0.764 . . . . 0.0 110.612 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.68 -33.48 72.62 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.228 0.467 . . . . 0.0 111.641 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -63.63 -46.04 87.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.546 0.612 . . . . 0.0 110.506 170.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.03 -43.91 98.18 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.984 -0.448 . . . . 0.0 109.854 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.87 -48.38 80.77 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.47 0.708 . . . . 0.0 110.232 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -54.46 -44.55 72.66 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.092 0.957 . . . . 0.0 110.94 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.35 -45.32 88.31 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.626 0 C-N-CA 122.702 0.401 . . . . 0.0 111.688 -175.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.521 0.201 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.22 93.98 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.693 -0.629 . . . . 0.0 112.169 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m 56.95 9.72 0.66 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.226 1.81 . . . . 0.0 115.149 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -56.64 -30.22 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 124.636 1.174 . . . . 0.0 110.051 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -141.57 144.84 34.46 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 103.193 -2.891 . . . . 0.0 103.193 169.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -148.15 0.22 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 112.818 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -130.64 138.09 49.91 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -74.22 -9.46 58.63 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -169.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 m -51.83 -47.71 64.24 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 120.838 1.654 . . . . 0.0 111.055 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.02 -35.11 79.63 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.267 0.94 . . . . 0.0 111.239 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -69.13 -41.04 77.88 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.873 0.76 . . . . 0.0 110.422 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -64.19 -41.88 96.89 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.874 0.761 . . . . 0.0 110.594 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -65.77 -50.7 63.79 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.398 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.1 tt -61.7 -40.9 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 118.855 0.752 . . . . 0.0 109.97 -176.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -56.52 -38.56 72.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.627 1.171 . . . . 0.0 111.74 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.2 p -103.44 8.02 37.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.814 0.845 . . . . 0.0 112.547 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -136.96 -29.36 0.91 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 118.493 -0.765 . . . . 0.0 113.048 -174.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -121.19 -32.48 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.628 1.104 . . . . 0.0 112.014 -169.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 29.95 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 119.454 1.025 . . . . 0.0 111.65 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -55.86 -33.98 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.963 0.905 . . . . 0.0 112.665 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -96.28 7.51 46.28 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.556 1.142 . . . . 0.0 112.072 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.42 139.81 46.96 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.945 1.298 . . . . 0.0 108.992 -170.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -135.2 2.1 3.01 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.905 0.882 . . . . 0.0 111.688 -169.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -136.46 150.2 48.59 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.916 1.286 . . . . 0.0 108.697 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -52.83 -35.35 57.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.322 -0.847 . . . . 0.0 113.228 -175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.66 -44.88 80.67 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.686 1.13 . . . . 0.0 109.602 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -65.59 -40.99 93.3 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.314 0.646 . . . . 0.0 109.513 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -71.44 -28.92 64.3 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 118.333 -0.842 . . . . 0.0 111.716 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.0 98.34 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.862 0.755 . . . . 0.0 109.22 169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.5 mmt -68.48 -35.68 77.88 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 118.678 -0.677 . . . . 0.0 112.015 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -50.78 63.96 Favored Glycine 0 CA--C 1.532 1.11 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -54.97 -51.96 64.54 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.392 0.677 . . . . 0.0 110.721 173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -57.51 -49.97 74.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.838 0.855 . . . . 0.0 110.668 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -56.26 -55.36 34.25 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.457 1.103 . . . . 0.0 110.522 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -36.09 73.5 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.26 -176.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.99 -54.05 44.48 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.826 -0.607 . . . . 0.0 109.676 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.34 -38.7 84.61 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 118.798 0.726 . . . . 0.0 111.104 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.55 -24.94 67.77 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.3 m -93.57 -33.07 13.88 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.054 0.941 . . . . 0.0 111.707 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.1 mt -58.21 122.0 12.09 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -81.45 49.2 1.26 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.905 1.282 . . . . 0.0 109.277 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -64.34 155.71 79.08 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 111.588 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -69.87 154.68 93.66 Favored 'Cis proline' 0 CA--C 1.538 0.691 0 CA-C-N 119.287 0.781 . . . . 0.0 111.162 -9.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -143.76 -167.88 2.7 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.22 1.408 . . . . 0.0 108.579 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.7 ptm -134.32 166.97 21.58 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 119.443 1.02 . . . . 0.0 111.958 176.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.9 -178.27 38.09 Favored Glycine 0 N--CA 1.442 -0.917 0 CA-C-O 122.093 0.83 . . . . 0.0 111.458 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.82 122.6 45.9 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 169.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.3 106.79 9.26 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 105.542 -2.022 . . . . 0.0 105.542 169.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.27 47.87 1.31 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.027 1.731 . . . . 0.0 108.67 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -52.46 119.28 4.3 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 124.841 1.256 . . . . 0.0 110.977 -168.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -90.41 -12.56 37.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.082 0.401 . . . . 0.0 111.749 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m -66.06 11.73 0.07 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.921 2.088 . . . . 0.0 115.973 -169.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -60.85 154.84 21.03 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 120.974 -1.079 . . . . 0.0 109.429 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -54.05 -37.38 64.09 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.186 0.594 . . . . 0.0 111.722 175.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 33.9 p -82.91 -0.4 48.24 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.533 1.133 . . . . 0.0 112.522 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m 59.35 12.96 2.89 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.364 1.866 . . . . 0.0 113.812 -171.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 147.31 48.43 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.352 -0.842 . . . . 0.0 108.787 172.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.5 mm -64.04 142.92 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -127.46 152.93 46.92 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 127.093 2.157 . . . . 0.0 105.222 169.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.58 106.78 9.2 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -111.91 120.11 40.8 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.1 m -69.64 131.97 45.46 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.96 146.58 25.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.163 0.585 . . . . 0.0 110.721 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -95.95 126.83 41.47 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 103.673 -2.714 . . . . 0.0 103.673 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.0 t -99.34 111.19 28.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -74.45 -30.2 61.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.577 0.751 . . . . 0.0 111.063 -170.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 153.38 -178.3 30.48 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 107.328 -2.309 . . . . 0.0 107.328 -172.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 20.3 mtp -63.69 151.15 42.7 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.295 0.569 . . . . 0.0 110.364 170.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.75 4.57 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.856 0.862 . . . . 0.0 109.981 170.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -49.59 137.35 33.23 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.487 2.125 . . . . 0.0 111.508 169.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.39 -29.95 64.51 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.667 0.787 . . . . 0.0 111.661 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.412 1.085 . . . . 0.0 112.813 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -85.51 -26.63 26.12 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.704 -0.622 . . . . 0.0 110.641 175.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -88.55 22.27 2.64 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.784 1.233 . . . . 0.0 113.05 -170.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.59 -7.71 46.13 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.806 1.243 . . . . 0.0 111.89 175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -138.04 -28.96 0.85 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.438 1.095 . . . . 0.0 112.799 -169.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -154.03 149.49 27.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.4 mmt -76.95 84.08 3.49 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -78.29 153.38 31.83 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.24 -0.912 . . . . 0.0 110.878 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.74 145.09 31.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 124.898 1.279 . . . . 0.0 108.796 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -82.76 140.8 32.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 m -141.79 143.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.409 0.684 . . . . 0.0 109.974 -171.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.09 136.26 50.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 172.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -81.65 65.08 6.64 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 124.363 1.065 . . . . 0.0 111.099 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 41.6 pt -58.9 -18.16 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 121.487 -0.758 . . . . 0.0 112.478 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.25 -3.76 88.58 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 124.889 1.233 . . . . 0.0 113.084 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.6 -97.04 0.14 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 119.194 1.497 . . . . 0.0 111.167 -174.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -60.59 -34.97 75.0 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 117.588 0.694 . . . . 0.0 112.541 -170.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.8 t70 60.35 -27.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 130.452 3.501 . . . . 0.0 116.556 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -110.45 7.53 22.77 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.424 1.49 . . . . 0.0 111.674 -170.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -137.09 164.66 27.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 123.969 0.908 . . . . 0.0 110.789 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.9 147.15 32.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.569 1.548 . . . . 0.0 108.859 -169.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -140.76 -173.22 3.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.685 2.394 . . . . 0.0 107.863 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.0 m -123.26 147.22 47.17 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 174.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.19 157.52 46.14 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.946 1.298 . . . . 0.0 109.625 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 129.72 37.16 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 172.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.756 1.162 . . . . 0.0 109.355 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -54.19 -13.37 0.83 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.209 2.604 . . . . 0.0 114.068 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -124.5 14.62 8.84 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.252 1.421 . . . . 0.0 110.927 -174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.74 155.64 30.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.618 1.567 . . . . 0.0 109.591 -176.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -124.94 119.11 27.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 174.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.06 140.8 40.41 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.4 mt -129.7 140.92 47.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.473 1.109 . . . . 0.0 108.524 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.57 35.87 19.1 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.759 1.624 . . . . 0.0 113.369 171.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -107.43 169.17 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.77 0.828 . . . . 0.0 110.833 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -66.05 152.26 45.05 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.911 0.885 . . . . 0.0 110.535 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -56.06 -42.18 76.22 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.147 0.979 . . . . 0.0 112.086 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -73.23 -28.49 62.19 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 119.197 0.908 . . . . 0.0 111.005 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.536 HG21 HG21 ' A' ' 105' ' ' VAL . 92.0 m -70.38 -50.81 34.96 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.45 -45.14 89.17 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.48 -38.94 92.78 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.463 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.59 -42.94 95.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 119.469 1.031 . . . . 0.0 110.519 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.5 mt -66.0 -47.08 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.606 0.763 . . . . 0.0 109.1 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.61 89.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.9 -35.98 79.42 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.965 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -60.69 -47.32 86.79 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.96 0.8 . . . . 0.0 110.156 170.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.92 -45.5 93.43 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.532 0.333 . . . . 0.0 110.108 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.17 -44.51 95.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.529 0.732 . . . . 0.0 110.574 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -58.63 -48.11 82.11 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.743 0.701 . . . . 0.0 109.989 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.7 -42.46 97.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.11 85.58 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.017 0.927 . . . . 0.0 112.175 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -66.24 -26.34 67.32 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.013 0.925 . . . . 0.0 111.406 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.13 125.18 0.99 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.17 67.56 2.48 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.512 1.125 . . . . 0.0 109.46 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.31 -38.63 74.98 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.279 -0.888 . . . . 0.0 109.431 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.3 p90 . . . . . 0 C--O 1.248 1.018 0 C-N-CA 128.22 2.608 . . . . 0.0 106.27 173.354 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.329 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.6 -22.54 61.71 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.18 -0.95 . . . . 0.0 112.303 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -56.74 -22.48 35.8 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.176 1.39 . . . . 0.0 114.646 -169.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.06 -19.52 20.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 119.297 0.953 . . . . 0.0 111.992 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -58.67 -17.58 23.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.028 1.331 . . . . 0.0 112.79 174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -54.3 -25.65 24.97 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.603 0.761 . . . . 0.0 112.332 171.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -78.47 69.4 4.65 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.094 0.95 . . . . 0.0 109.915 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.6 -26.48 68.0 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.726 -0.609 . . . . 0.0 111.974 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.2 m -62.0 -48.09 81.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.776 0.716 . . . . 0.0 109.456 173.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -63.52 -40.49 97.19 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.585 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -58.05 -48.26 80.62 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 119.102 0.864 . . . . 0.0 110.081 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.77 -47.91 83.78 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.486 0.715 . . . . 0.0 110.934 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -70.63 -43.57 68.96 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 119.649 1.113 . . . . 0.0 110.897 -173.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 tt -61.71 -43.36 97.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 119.344 0.974 . . . . 0.0 108.499 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.35 -38.8 90.91 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.129 0.971 . . . . 0.0 112.183 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 p -96.13 -7.0 37.09 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -171.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -134.75 -27.83 1.27 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.26 0.937 . . . . 0.0 113.193 -169.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.3 mt -114.43 -35.16 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 119.612 1.096 . . . . 0.0 112.017 -169.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.04 19.73 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 119.793 1.179 . . . . 0.0 111.612 174.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 p -56.72 -36.98 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.777 0.831 . . . . 0.0 111.839 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -78.6 -18.34 54.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.401 1.08 . . . . 0.0 112.634 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.91 146.3 41.94 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 121.802 -0.561 . . . . 0.0 111.095 -173.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -130.03 -19.63 3.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.931 1.692 . . . . 0.0 110.291 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -120.16 148.79 43.19 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.775 1.23 . . . . 0.0 110.157 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -27.23 46.2 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.36 -42.02 79.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.444 1.475 . . . . 0.0 109.458 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -66.52 -36.47 82.79 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.407 0.683 . . . . 0.0 110.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -44.7 79.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.135 0.574 . . . . 0.0 110.595 171.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.06 87.78 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.184 0.447 . . . . 0.0 109.878 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.9 mmt -65.17 -39.05 92.37 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 118.633 -0.699 . . . . 0.0 111.611 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.97 -51.45 59.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-N 119.499 1.045 . . . . 0.0 111.275 176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -54.94 -49.28 71.74 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.014 0.526 . . . . 0.0 110.862 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.17 -46.58 82.68 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.761 -0.638 . . . . 0.0 111.195 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.04 -51.34 64.63 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 118.918 0.781 . . . . 0.0 110.063 -171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.54 -37.41 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.454 -0.898 . . . . 0.0 109.902 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.18 -50.4 68.25 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.823 0.738 . . . . 0.0 109.743 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.3 -41.61 89.42 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.473 0.709 . . . . 0.0 110.891 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -65.96 -25.71 67.24 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -93.31 -37.74 11.87 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.505 0.722 . . . . 0.0 111.474 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.1 mt -58.9 124.11 18.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.316 0.646 . . . . 0.0 109.408 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.69 50.76 1.01 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.638 1.975 . . . . 0.0 108.801 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -70.47 153.91 94.76 Favored Pre-proline 0 CA--C 1.544 0.721 0 O-C-N 121.096 -1.002 . . . . 0.0 111.059 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 150.73 87.71 Favored 'Cis proline' 0 CA--C 1.537 0.635 0 CA-C-N 119.305 0.787 . . . . 0.0 110.427 -10.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -138.42 -172.26 3.24 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.908 1.283 . . . . 0.0 108.363 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.8 ptm -130.76 168.76 16.67 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 119.459 1.027 . . . . 0.0 111.565 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -176.96 39.32 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-O 122.174 0.874 . . . . 0.0 111.74 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -118.14 119.74 35.64 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -77.17 108.28 10.15 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 169.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -81.03 49.21 1.2 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.063 1.745 . . . . 0.0 108.655 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -56.96 118.92 5.45 Favored 'General case' 0 N--CA 1.461 0.092 0 C-N-CA 124.558 1.143 . . . . 0.0 111.45 -168.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -71.45 139.11 49.53 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 169.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 t -148.87 164.53 34.22 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.266 1.027 . . . . 0.0 109.47 -171.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 60.06 171.02 0.08 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.571 1.948 . . . . 0.0 111.747 -172.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -61.97 -27.16 68.66 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.103 -0.998 . . . . 0.0 111.241 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -73.23 -8.76 57.22 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.429 1.491 . . . . 0.0 112.905 177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m 54.33 33.11 17.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.55 1.14 . . . . 0.0 112.059 -173.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -56.53 131.43 48.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.134 1.374 . . . . 0.0 108.779 174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.28 136.92 25.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.57 151.81 38.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -128.63 94.47 3.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 -169.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -98.58 119.73 37.79 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.6 m -70.03 134.47 48.31 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.1 m -142.26 155.15 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.911 0.484 . . . . 0.0 111.668 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -107.02 116.35 31.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 169.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -87.1 110.97 21.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.8 mt -76.87 -30.66 56.33 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.079 0.552 . . . . 0.0 112.121 -169.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.37 -178.46 34.6 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.219 -1.952 . . . . 0.0 108.219 -174.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.42 149.28 48.75 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.365 -0.491 . . . . 0.0 110.411 173.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.12 171.21 6.94 Favored Pre-proline 0 CA--C 1.545 0.773 0 C-N-CA 124.225 1.01 . . . . 0.0 110.426 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -49.21 148.95 9.44 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.066 2.511 . . . . 0.0 112.736 171.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -59.41 -28.56 67.03 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.264 0.626 . . . . 0.0 111.859 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -69.46 -34.44 74.39 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.261 0.624 . . . . 0.0 111.611 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.67 -47.92 70.98 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 169.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.5 m -75.39 15.0 0.5 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -170.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.38 -11.79 60.34 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.116 0.871 . . . . 0.0 112.04 173.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -140.87 -19.61 0.81 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -169.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -155.48 151.54 27.84 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.3 mmt -77.57 81.2 4.03 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.07 149.12 35.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.6 m -134.22 142.82 39.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 124.248 1.019 . . . . 0.0 108.913 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -75.17 142.66 43.48 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 169.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 p -149.49 139.95 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -169.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.88 138.0 51.58 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 124.33 1.052 . . . . 0.0 108.851 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.35 66.72 9.66 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 124.426 1.09 . . . . 0.0 110.957 -170.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 37.4 pt -58.33 -19.01 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.64 -0.663 . . . . 0.0 112.561 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.43 88.61 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.839 1.209 . . . . 0.0 113.056 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.08 -94.71 0.11 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 119.167 1.484 . . . . 0.0 111.06 -174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -60.11 -36.63 77.87 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 117.758 0.779 . . . . 0.0 112.373 -171.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 59.83 -25.45 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 130.387 3.475 . . . . 0.0 116.411 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -118.37 11.12 12.95 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.056 1.742 . . . . 0.0 111.11 -172.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.66 164.13 28.56 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 124.239 1.016 . . . . 0.0 110.33 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.4 p -135.39 149.62 28.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.656 1.583 . . . . 0.0 110.067 -168.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.33 -171.35 3.18 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.459 2.303 . . . . 0.0 108.435 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.47 146.36 48.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 172.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.3 159.32 42.1 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.595 1.158 . . . . 0.0 110.272 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -82.7 125.5 31.3 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.493 -2.039 . . . . 0.0 105.493 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.58 -29.38 69.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.574 1.079 . . . . 0.0 111.271 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.439 ' N ' ' HE1' ' A' ' 116' ' ' TRP . 2.7 p -61.85 -20.88 64.16 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.967 1.307 . . . . 0.0 112.998 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -103.78 10.88 36.4 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.093 0.957 . . . . 0.0 111.343 -174.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.94 154.47 22.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 C-N-CA 125.91 1.684 . . . . 0.0 108.941 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -120.95 117.88 28.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.84 139.45 40.31 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 93.0 mt -129.65 143.3 41.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.041 1.337 . . . . 0.0 107.693 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.3 t70 56.61 23.36 7.63 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.672 1.589 . . . . 0.0 113.928 176.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.8 m -79.28 164.65 3.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 C-N-CA 124.046 0.939 . . . . 0.0 111.65 175.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.35 157.08 38.71 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.053 -0.976 . . . . 0.0 108.37 169.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.92 -44.54 82.55 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.529 0.731 . . . . 0.0 111.823 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -73.09 -27.8 61.92 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 119.192 0.906 . . . . 0.0 110.927 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 53.6 m -69.35 -49.87 51.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 173.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.05 -46.14 85.85 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.549 0.613 . . . . 0.0 109.778 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.38 -36.48 83.86 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.215 0.606 . . . . 0.0 111.252 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.42 84.82 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.239 0.927 . . . . 0.0 110.571 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.25 -43.13 97.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.68 95.1 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 123.682 0.793 . . . . 0.0 110.665 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -68.2 -39.91 82.31 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.6 0.636 . . . . 0.0 111.607 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.439 ' HE1' ' N ' ' A' ' 98' ' ' SER . 2.7 t-105 -58.14 -44.72 87.98 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.226 0.61 . . . . 0.0 110.437 170.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.69 -45.26 93.59 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.765 -0.636 . . . . 0.0 109.91 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.21 -40.53 97.75 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 119.251 0.932 . . . . 0.0 111.559 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.404 ' CD1' ' C ' ' A' ' 119' ' ' TRP . 2.8 t90 -51.73 -65.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 169.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.5 tp -60.95 -31.19 70.75 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.815 -169.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.69 -32.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 124.886 1.274 . . . . 0.0 112.944 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -70.83 -34.68 71.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 169.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 146.35 163.21 10.24 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 125.056 1.313 . . . . 0.0 111.611 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -85.15 -152.63 0.15 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.485 1.114 . . . . 0.0 108.805 169.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 51.16 56.66 7.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.483 1.513 . . . . 0.0 110.951 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 16.3 t80 . . . . . 0 C--O 1.251 1.132 0 C-N-CA 124.589 1.155 . . . . 0.0 109.798 177.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.504 ' HG2' ' H ' ' A' ' 3' ' ' SER . 22.1 ttt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.57 -18.54 61.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.955 0.902 . . . . 0.0 112.121 177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.504 ' H ' ' HG2' ' A' ' 1' ' ' MET . 13.1 m 68.89 21.16 7.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.103 2.161 . . . . 0.0 111.958 -176.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.99 -3.57 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.831 1.252 . . . . 0.0 111.987 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -79.38 -173.45 3.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.603 1.161 . . . . 0.0 111.06 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 51.23 40.03 25.15 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.907 1.683 . . . . 0.0 113.114 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -147.56 99.54 3.13 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.5 -19.14 64.51 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.955 0.902 . . . . 0.0 112.8 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -55.66 -38.55 69.74 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.195 0.907 . . . . 0.0 110.545 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -61.61 -45.99 91.72 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 118.183 0.447 . . . . 0.0 110.281 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -68.31 -36.93 80.07 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.074 0.549 . . . . 0.0 110.86 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -65.7 -50.72 63.87 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -69.72 -42.63 73.74 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.693 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 tt -58.08 -49.32 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 119.477 1.035 . . . . 0.0 108.505 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -61.24 -41.91 97.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.341 1.057 . . . . 0.0 111.554 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.3 p -89.77 -9.27 49.88 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.339 -0.839 . . . . 0.0 113.032 -171.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -132.65 -41.38 0.95 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.901 1.228 . . . . 0.0 112.885 -170.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.5 mt -93.55 -33.68 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 118.807 0.73 . . . . 0.0 109.896 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.0 pt -131.49 12.14 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 123.617 0.767 . . . . 0.0 112.162 -170.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 p -58.03 -34.53 49.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 123.854 0.862 . . . . 0.0 111.923 -174.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -82.39 2.14 33.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.341 1.456 . . . . 0.0 112.796 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.6 152.6 51.58 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.779 1.231 . . . . 0.0 110.443 -169.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.8 -2.49 2.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.312 0.645 . . . . 0.0 112.733 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -135.41 148.66 49.41 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.737 1.215 . . . . 0.0 108.62 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -48.89 -38.26 22.08 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.1 -43.35 74.68 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.427 1.012 . . . . 0.0 109.573 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -69.59 -35.21 75.12 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.634 0.774 . . . . 0.0 109.94 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -72.34 -30.9 65.18 Favored 'General case' 0 C--O 1.233 0.187 0 O-C-N 121.187 -0.945 . . . . 0.0 110.911 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.3 86.12 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.796 0.725 . . . . 0.0 109.637 169.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.9 -36.76 83.0 Favored 'General case' 0 C--O 1.225 -0.2 0 O-C-N 121.531 -0.731 . . . . 0.0 111.603 173.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.61 -53.34 39.48 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 119.3 0.954 . . . . 0.0 111.141 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -51.62 -54.45 27.68 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.42 0.688 . . . . 0.0 110.606 171.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -54.78 -48.4 72.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.26 0.624 . . . . 0.0 110.88 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.29 -53.3 57.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 118.63 0.65 . . . . 0.0 110.118 -171.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -35.06 70.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 118.969 -1.092 . . . . 0.0 110.49 -176.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -64.22 -51.53 63.25 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.434 0.561 . . . . 0.0 109.62 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.04 -39.08 84.7 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.493 0.717 . . . . 0.0 110.96 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -66.43 -26.57 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.9 m -88.78 -40.36 13.25 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.484 0.713 . . . . 0.0 111.348 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -60.35 130.68 47.82 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 109.695 -175.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -78.81 20.2 0.47 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.526 1.53 . . . . 0.0 112.591 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -45.7 146.57 1.82 Allowed Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.87 1.668 . . . . 0.0 114.977 -168.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -61.38 151.93 57.43 Favored 'Cis proline' 0 CA--C 1.539 0.759 0 CA-C-N 118.954 0.662 . . . . 0.0 113.19 -10.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -141.79 -171.56 3.37 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.474 1.51 . . . . 0.0 107.934 173.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.1 ptm -131.26 167.34 19.37 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.999 1.272 . . . . 0.0 112.415 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.98 -177.25 39.12 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 121.78 0.656 . . . . 0.0 112.05 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.35 120.41 39.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -77.49 108.25 10.52 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 169.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -79.55 53.55 1.59 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 125.583 1.553 . . . . 0.0 109.889 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -56.68 116.07 2.92 Favored 'General case' 0 CA--C 1.523 -0.075 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -171.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.8 129.99 41.83 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 106.808 -1.553 . . . . 0.0 106.808 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 m -59.95 152.27 24.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.469 0.708 . . . . 0.0 109.247 173.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' H ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -50.06 114.18 1.03 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.429 1.092 . . . . 0.0 111.534 -169.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 43.24 40.27 2.41 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.027 1.731 . . . . 0.0 112.708 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 t -147.66 163.27 37.18 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.716 -0.615 . . . . 0.0 109.368 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -71.47 -22.54 61.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.103 0.961 . . . . 0.0 113.131 -171.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.1 m -60.12 153.07 22.73 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.968 1.307 . . . . 0.0 110.849 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 29.1 mt -124.05 146.87 28.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.815 1.246 . . . . 0.0 107.869 175.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -116.86 141.03 48.75 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.05 100.66 7.69 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -169.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -105.52 119.72 39.83 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.4 m -70.36 132.14 45.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.84 153.91 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 122.993 0.517 . . . . 0.0 111.842 -171.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -104.43 125.5 50.69 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 104.405 -2.443 . . . . 0.0 104.405 168.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -95.43 108.78 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.7 -29.01 58.85 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 123.205 0.602 . . . . 0.0 111.717 -169.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.49 -178.72 33.69 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.99 149.74 46.71 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.427 -0.454 . . . . 0.0 109.943 171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -71.3 175.7 2.63 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 123.335 0.654 . . . . 0.0 110.212 169.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 84.0 Cg_exo -49.3 143.07 20.6 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.344 2.696 . . . . 0.0 113.246 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.7 -39.07 64.87 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 125.002 1.321 . . . . 0.0 110.228 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -65.57 -36.16 82.97 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 124.229 1.012 . . . . 0.0 111.858 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -72.99 -37.07 67.15 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 71.7 m -77.77 13.21 1.39 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.29 -5.39 39.23 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.429 1.092 . . . . 0.0 111.745 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -141.0 -22.79 0.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.094 0.958 . . . . 0.0 113.226 -169.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -158.32 157.76 33.07 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.503 1.047 . . . . 0.0 108.942 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -84.88 81.9 8.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 119.073 0.851 . . . . 0.0 109.061 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -78.6 149.05 33.04 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 123.014 0.526 . . . . 0.0 110.189 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.2 m -133.84 143.66 37.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 124.328 1.051 . . . . 0.0 109.0 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.99 141.26 43.98 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 169.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.9 138.88 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.78 134.96 54.05 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.169 0.988 . . . . 0.0 108.525 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -80.68 67.54 6.59 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 125.021 1.328 . . . . 0.0 109.73 -178.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.1 pt -59.85 -12.08 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 121.051 -1.031 . . . . 0.0 112.855 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.93 -3.84 59.03 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.33 -1.261 . . . . 0.0 113.132 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -159.01 -6.36 0.06 OUTLIER Glycine 0 CA--C 1.529 0.917 0 CA-C-N 119.673 1.737 . . . . 0.0 116.943 -169.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -140.43 -45.51 0.41 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.311 2.055 . . . . 0.0 109.298 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 58.47 -26.07 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.694 3.198 . . . . 0.0 115.524 -170.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -108.97 6.06 24.86 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.62 1.568 . . . . 0.0 112.054 -171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -137.08 162.61 32.88 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.589 0.756 . . . . 0.0 111.102 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.9 t -135.24 150.78 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.642 1.577 . . . . 0.0 109.169 -169.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -140.76 -170.11 2.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.842 2.457 . . . . 0.0 107.977 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 m -123.41 147.66 46.89 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.82 161.42 37.28 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 124.563 1.145 . . . . 0.0 110.135 175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.6 126.85 31.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 171.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.57 -31.09 65.8 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.288 0.494 . . . . 0.0 110.497 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -54.61 -17.6 3.5 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.769 2.027 . . . . 0.0 113.883 173.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.77 13.87 16.23 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.338 1.055 . . . . 0.0 111.846 -171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -121.86 154.05 26.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 125.427 1.491 . . . . 0.0 109.427 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -119.67 120.6 37.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 105.892 -1.892 . . . . 0.0 105.892 170.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.46 139.9 41.02 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 81.9 mt -128.07 144.7 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.929 1.292 . . . . 0.0 108.166 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.86 26.93 12.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.692 1.597 . . . . 0.0 113.5 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m -90.55 164.56 2.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.091 0.956 . . . . 0.0 111.45 176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -71.39 157.71 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.01 1.324 . . . . 0.0 109.346 169.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.2 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.118 0.967 . . . . 0.0 112.14 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -71.41 -36.2 71.25 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.356 0.98 . . . . 0.0 110.923 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.8 m -63.71 -51.11 66.47 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.702 0.801 . . . . 0.0 109.014 173.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.86 -44.95 93.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -63.34 -36.6 84.22 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.736 -0.649 . . . . 0.0 111.402 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.68 -44.28 90.85 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.357 0.98 . . . . 0.0 110.252 177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.4 -43.09 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.62 96.17 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.443 0.697 . . . . 0.0 110.383 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.91 -35.43 76.83 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-N 118.153 0.433 . . . . 0.0 111.475 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.27 -46.56 89.38 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.391 0.541 . . . . 0.0 110.176 169.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 39.5 mt -62.58 -41.84 99.19 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.94 -0.475 . . . . 0.0 110.526 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -62.73 -45.76 91.24 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 118.302 0.501 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -59.2 -38.43 79.86 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.917 0.78 . . . . 0.0 111.732 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.94 -50.0 75.16 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.8 -37.14 85.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.463 0.705 . . . . 0.0 112.349 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.38 -26.88 68.2 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.265 1.026 . . . . 0.0 111.596 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.61 -20.91 0.07 OUTLIER Glycine 0 CA--C 1.528 0.86 0 CA-C-O 117.348 -1.807 . . . . 0.0 117.0 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 5.1 t80 43.08 51.89 5.45 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.02 1.91 . . . . 0.0 113.258 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -68.86 -26.82 65.34 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.167 -0.958 . . . . 0.0 111.363 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.255 1.353 0 C-N-CA 128.928 2.891 . . . . 0.0 105.806 179.021 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtm . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.66 45.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m -67.56 -6.64 20.92 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -48.51 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 C-N-CA 125.325 1.45 . . . . 0.0 110.654 178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 52.62 27.7 5.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.308 1.843 . . . . 0.0 113.863 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -68.03 9.51 0.29 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -57.36 143.54 39.57 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 119.23 0.923 . . . . 0.0 109.373 173.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -56.69 -25.83 55.15 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.473 -0.775 . . . . 0.0 112.852 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 t -61.01 -39.88 91.41 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.793 1.178 . . . . 0.0 110.605 176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -65.4 -45.66 83.12 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.775 1.171 . . . . 0.0 109.379 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -60.73 -42.66 97.74 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.9 -51.75 66.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.4 1.08 . . . . 0.0 111.027 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -64.16 -46.91 81.96 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 121.607 -0.683 . . . . 0.0 110.42 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.4 tt -61.03 -41.73 90.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -60.6 -48.83 80.04 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.945 0.898 . . . . 0.0 110.249 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.5 p -90.6 13.2 16.58 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -135.94 -47.4 0.66 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.69 -28.42 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 119.358 0.981 . . . . 0.0 111.857 -169.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.2 pt -135.84 22.09 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -167.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.2 m -56.53 -34.69 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 C-N-CA 123.296 0.639 . . . . 0.0 112.597 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.78 1.7 45.55 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.227 1.011 . . . . 0.0 112.549 -170.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.51 155.73 45.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.083 0.953 . . . . 0.0 110.92 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -140.92 2.12 1.72 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.004 0.922 . . . . 0.0 112.728 -173.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -129.38 145.64 51.37 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 125.182 1.393 . . . . 0.0 107.827 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.55 -36.14 33.02 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -176.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -72.47 -43.97 62.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 119.768 1.167 . . . . 0.0 109.129 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -66.56 -34.68 78.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.226 0.61 . . . . 0.0 109.967 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -73.23 -31.37 64.1 Favored 'General case' 0 C--O 1.231 0.11 0 O-C-N 121.022 -1.049 . . . . 0.0 111.248 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.46 87.2 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.287 0.949 . . . . 0.0 109.389 169.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.3 mmt -66.6 -37.92 85.92 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.756 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.5 -52.8 45.49 Favored Glycine 0 CA--C 1.534 1.242 0 CA-C-N 120.032 1.287 . . . . 0.0 111.37 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -54.47 -48.71 71.48 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.577 0.751 . . . . 0.0 110.861 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -57.34 -47.76 80.75 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 118.818 -0.61 . . . . 0.0 111.157 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -62.28 -52.49 63.49 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.554 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -69.6 -36.93 76.65 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 118.612 -1.235 . . . . 0.0 109.911 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.53 -49.22 69.75 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.484 0.583 . . . . 0.0 109.966 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.2 -38.47 83.4 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.734 0.814 . . . . 0.0 110.922 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -68.64 -25.1 64.67 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 175.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.1 m -95.59 -36.56 11.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.396 0.678 . . . . 0.0 111.829 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.36 118.18 6.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -83.99 51.93 2.18 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.567 0.747 . . . . 0.0 109.102 174.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -61.87 158.06 45.7 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 124.68 1.192 . . . . 0.0 111.756 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.83 156.8 89.96 Favored 'Cis proline' 0 C--N 1.35 0.624 0 CA-C-N 119.496 0.856 . . . . 0.0 111.637 -7.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.39 -170.4 3.27 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.103 1.361 . . . . 0.0 108.759 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.5 ptm -132.21 170.24 15.29 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 119.373 0.988 . . . . 0.0 111.441 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.02 -177.34 39.73 Favored Glycine 0 N--CA 1.443 -0.861 0 CA-C-O 122.158 0.866 . . . . 0.0 112.542 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -118.94 118.82 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 169.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.23 109.08 10.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -78.1 55.76 1.53 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.082 1.353 . . . . 0.0 109.215 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -62.95 133.28 54.4 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.12 0.968 . . . . 0.0 109.849 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -79.42 153.53 29.62 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -70.95 -175.24 1.08 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.782 0.833 . . . . 0.0 110.715 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.73 63.38 5.12 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.222 1.409 . . . . 0.0 109.739 -171.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.6 tttm 52.02 47.33 24.98 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.123 1.369 . . . . 0.0 110.237 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -128.56 22.47 5.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.605 1.562 . . . . 0.0 110.487 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 m 48.77 38.02 10.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.478 1.911 . . . . 0.0 114.21 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -130.13 163.26 26.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.354 1.462 . . . . 0.0 107.247 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -130.29 141.7 45.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -107.8 150.45 26.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 127.017 2.127 . . . . 0.0 105.828 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -126.69 91.0 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -173.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -96.33 118.86 33.74 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.0 m -70.53 133.31 46.66 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.73 156.95 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.407 0.683 . . . . 0.0 111.41 -171.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -107.0 126.37 52.23 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 169.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.61 111.38 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.92 -30.07 55.95 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.336 0.655 . . . . 0.0 111.612 -169.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.76 -177.47 33.67 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.129 -1.989 . . . . 0.0 108.129 -174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -63.4 150.25 43.99 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 122.373 -0.486 . . . . 0.0 110.182 171.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 170.31 6.63 Favored Pre-proline 0 CA--C 1.544 0.717 0 C-N-CA 123.911 0.884 . . . . 0.0 110.173 169.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.72 146.88 14.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.813 2.342 . . . . 0.0 112.263 171.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -58.85 -28.48 66.13 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.128 0.571 . . . . 0.0 111.643 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.48 -34.08 77.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.285 0.634 . . . . 0.0 111.8 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -72.76 -41.38 65.13 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 172.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.2 m -75.55 12.74 0.93 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -171.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.33 -13.08 61.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.079 0.952 . . . . 0.0 111.781 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -134.18 -23.63 1.7 Allowed 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -173.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -157.01 151.82 25.81 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 119.462 1.028 . . . . 0.0 108.675 178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.7 80.25 4.17 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.867 0.867 . . . . 0.0 108.713 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -78.49 152.03 32.26 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.771 0.828 . . . . 0.0 109.998 176.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.5 m -133.24 144.22 36.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 C-N-CA 124.613 1.165 . . . . 0.0 109.023 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.37 141.11 43.35 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 169.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 p -147.93 136.68 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -169.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.31 133.55 52.9 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -82.33 73.8 9.34 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 123.915 0.886 . . . . 0.0 109.883 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.6 pt -62.15 -5.36 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 175.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.68 -12.16 48.29 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-O 118.297 -1.28 . . . . 0.0 112.852 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.06 -11.79 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 CA-C-N 119.618 1.709 . . . . 0.0 116.543 -169.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -135.98 -44.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.867 1.833 . . . . 0.0 110.502 176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 59.8 -25.25 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 129.48 3.112 . . . . 0.0 115.902 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -117.43 9.93 13.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.039 1.736 . . . . 0.0 111.273 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -133.66 161.19 35.34 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.408 1.083 . . . . 0.0 110.367 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -135.29 148.46 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 125.165 1.386 . . . . 0.0 109.664 -168.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.37 -169.54 2.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 128.001 2.52 . . . . 0.0 107.873 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -123.29 146.88 47.53 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 172.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.68 160.46 38.77 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 124.658 1.183 . . . . 0.0 109.986 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.05 128.87 33.81 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 106.132 -1.803 . . . . 0.0 106.132 171.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.46 -33.42 69.73 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.356 0.98 . . . . 0.0 109.965 170.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.2 m -51.3 -18.05 0.87 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 128.121 2.569 . . . . 0.0 114.48 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -123.42 13.23 9.47 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.899 0.88 . . . . 0.0 112.292 -171.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.1 mt -118.13 152.52 20.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 125.266 1.426 . . . . 0.0 109.342 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -112.73 120.86 42.97 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.57 139.93 37.35 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 90.0 mt -129.91 143.88 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.14 1.376 . . . . 0.0 107.657 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.34 21.82 7.18 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.738 1.615 . . . . 0.0 113.848 176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 105' ' ' VAL . 1.6 m -77.97 163.62 3.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 C-N-CA 124.064 0.946 . . . . 0.0 111.841 176.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.41 157.23 38.42 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.366 169.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.4 -44.06 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.561 0.744 . . . . 0.0 111.974 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.41 -29.6 62.7 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.266 0.939 . . . . 0.0 110.824 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 56.8 m -67.59 -50.51 57.94 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -58.13 -46.44 85.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.697 0.68 . . . . 0.0 110.086 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -62.94 -37.42 86.99 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.201 0.601 . . . . 0.0 111.078 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.5 93.62 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.182 0.901 . . . . 0.0 110.569 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.65 -45.76 87.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.54 92.17 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.096 0.558 . . . . 0.0 110.387 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.7 -37.04 79.24 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 46.8 t-105 -59.17 -46.94 87.09 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 122.719 0.407 . . . . 0.0 109.987 170.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.21 -40.99 99.05 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.286 -178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -63.56 -44.94 92.67 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.891 0.768 . . . . 0.0 110.599 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -60.34 -38.94 85.33 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.8 -0.563 . . . . 0.0 111.267 175.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.38 -47.18 83.15 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.31 -31.45 72.59 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.754 1.222 . . . . 0.0 112.814 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -57.02 -20.51 24.68 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.351 0.978 . . . . 0.0 112.207 173.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.78 76.18 0.51 Allowed Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -55.41 140.65 39.22 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.182 0.593 . . . . 0.0 111.373 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -140.1 -5.1 1.3 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -169.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.251 1.16 0 CA-C-N 119.283 0.947 . . . . 0.0 109.468 175.439 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.25 -25.13 66.74 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -175.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -70.49 28.75 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.063 2.145 . . . . 0.0 115.21 -169.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -63.2 -16.54 17.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 120.945 -1.097 . . . . 0.0 112.278 176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.71 151.43 33.66 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.512 1.525 . . . . 0.0 107.968 172.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -130.47 -3.9 4.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.986 1.315 . . . . 0.0 111.841 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -84.02 -14.56 50.34 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.499 1.52 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 61.58 -3.98 0.19 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.667 2.387 . . . . 0.0 115.635 175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.1 m -61.25 -46.02 92.09 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 121.338 1.881 . . . . 0.0 110.841 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -35.01 78.72 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.387 1.449 . . . . 0.0 109.391 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -54.93 -49.71 70.63 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.365 0.984 . . . . 0.0 110.634 173.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.23 -49.56 75.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.375 1.07 . . . . 0.0 110.249 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -64.25 -47.9 77.84 Favored 'General case' 0 CA--C 1.52 -0.201 0 O-C-N 121.497 -0.752 . . . . 0.0 111.108 -175.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.4 tt -58.37 -43.06 85.59 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -62.65 -39.73 94.8 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.374 1.07 . . . . 0.0 111.994 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.9 p -95.12 -1.75 51.35 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -169.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -139.55 -21.73 0.91 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 115.37 1.619 . . . . 0.0 115.37 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.2 mm -90.75 -40.66 12.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-N 120.805 1.639 . . . . 0.0 110.276 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.1 pt -129.17 10.07 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.033 0.933 . . . . 0.0 112.906 -168.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.9 -33.92 51.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 123.669 0.787 . . . . 0.0 111.811 -178.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -75.14 -2.8 29.37 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.396 1.478 . . . . 0.0 112.918 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.98 154.89 50.82 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.175 1.39 . . . . 0.0 109.762 -170.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.82 -1.17 1.84 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -170.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -133.77 148.9 51.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.797 1.239 . . . . 0.0 108.238 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.28 -37.11 45.53 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.98 -44.19 73.38 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.926 1.239 . . . . 0.0 109.369 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -67.07 -36.07 81.21 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.703 0.801 . . . . 0.0 110.056 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -73.53 -32.04 64.0 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 121.195 -0.941 . . . . 0.0 111.123 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.14 98.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.995 0.816 . . . . 0.0 109.352 169.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.4 mmt -60.86 -41.27 95.54 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.081 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.1 -52.76 49.39 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 119.617 1.099 . . . . 0.0 111.737 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -53.99 -50.91 65.52 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.384 0.674 . . . . 0.0 110.852 173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -57.01 -46.08 82.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.205 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -61.24 -50.94 71.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.909 0.777 . . . . 0.0 109.881 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -34.77 66.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 118.792 -1.163 . . . . 0.0 110.72 -177.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.02 -52.45 62.86 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 119.541 1.064 . . . . 0.0 109.621 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -59.18 -36.35 75.17 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.915 0.779 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -69.68 -26.43 64.37 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 175.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.3 m -98.53 -34.16 10.71 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.867 0.867 . . . . 0.0 112.358 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 109' ' ' THR . 65.7 mt -66.83 3.66 1.01 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -169.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 19.36 60.13 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 130.98 3.712 . . . . 0.0 114.17 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.23 156.56 10.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.692 1.197 . . . . 0.0 113.258 -174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.12 162.91 91.84 Favored 'Cis proline' 0 CA--C 1.537 0.651 0 CA-C-N 118.562 0.522 . . . . 0.0 111.114 -10.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -143.55 -171.61 3.55 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -136.32 166.13 24.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.634 1.106 . . . . 0.0 112.62 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.86 -177.44 37.42 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.108 0.838 . . . . 0.0 111.357 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.5 122.05 46.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.483 -1.673 . . . . 0.0 106.483 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -76.9 108.55 10.03 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 169.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -83.78 53.82 2.68 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.705 1.602 . . . . 0.0 108.43 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.23 154.43 19.9 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.202 1.401 . . . . 0.0 110.167 -169.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -110.0 125.74 53.21 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 104.586 -2.376 . . . . 0.0 104.586 175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.2 m -143.05 177.55 8.3 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.737 0.815 . . . . 0.0 110.769 -169.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 61.56 171.09 0.11 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.239 1.816 . . . . 0.0 111.709 -171.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.08 -31.75 71.41 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.351 -0.843 . . . . 0.0 110.834 172.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 p -73.3 -7.14 50.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.919 1.288 . . . . 0.0 113.016 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m 53.48 31.89 13.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.559 1.144 . . . . 0.0 112.292 -174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.5 m -61.43 144.18 54.58 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.067 0.947 . . . . 0.0 108.951 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 mm -64.11 140.14 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 171.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -128.04 153.43 46.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 127.626 2.37 . . . . 0.0 104.977 169.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -129.6 105.1 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 -169.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -110.68 120.23 41.74 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -70.02 132.08 45.34 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.4 m -140.34 145.67 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 C-N-CA 123.031 0.532 . . . . 0.0 110.923 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -97.17 131.69 43.67 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.4 t -99.16 114.55 37.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 mp -85.66 -31.21 22.66 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.847 0.859 . . . . 0.0 112.362 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 168.03 167.68 29.04 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 108.444 -1.862 . . . . 0.0 108.444 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 26.4 mtp -71.37 152.41 43.19 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.443 0.622 . . . . 0.0 109.485 169.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.61 165.76 27.71 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.518 1.127 . . . . 0.0 112.257 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -48.26 158.7 0.9 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.548 3.499 . . . . 0.0 114.935 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.16 -36.62 13.89 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.155 1.782 . . . . 0.0 112.001 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.48 -24.19 67.72 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.423 0.689 . . . . 0.0 112.448 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -102.72 -46.04 4.83 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.205 1.002 . . . . 0.0 110.045 -174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.8 p -71.44 -2.43 16.59 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -72.17 -10.41 59.74 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.417 1.087 . . . . 0.0 112.235 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.16 -26.28 1.16 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 114.282 1.216 . . . . 0.0 114.282 177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -156.62 149.85 24.22 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.651 1.114 . . . . 0.0 109.868 -174.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -80.85 75.76 7.78 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.227 1.011 . . . . 0.0 109.336 -172.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.47 153.04 25.83 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 123.676 0.79 . . . . 0.0 109.841 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.8 m -136.52 145.63 30.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 125.402 1.481 . . . . 0.0 108.811 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.32 141.06 40.08 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.9 -1.519 . . . . 0.0 106.9 169.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.28 141.12 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -169.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.31 135.17 53.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -82.51 66.34 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.438 1.095 . . . . 0.0 110.839 -172.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 44.5 pt -59.05 -17.02 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 O-C-N 121.553 -0.717 . . . . 0.0 112.518 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.97 -3.89 87.46 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.908 1.242 . . . . 0.0 113.167 174.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.6 -93.77 0.1 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 119.292 1.546 . . . . 0.0 111.263 -174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -59.31 -37.1 76.92 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 117.934 0.867 . . . . 0.0 112.359 -172.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.92 -25.47 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 130.22 3.408 . . . . 0.0 116.141 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -117.16 9.94 13.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.004 1.722 . . . . 0.0 111.244 -173.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -134.51 162.75 31.39 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.042 0.937 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.3 t -130.89 145.61 35.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.879 1.672 . . . . 0.0 109.064 -169.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -133.75 -172.79 3.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.721 2.408 . . . . 0.0 107.801 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -122.83 143.74 49.66 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.98 152.85 51.37 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.956 1.303 . . . . 0.0 108.89 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 128.84 33.86 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 49.5 tp -58.57 -31.67 68.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.309 0.504 . . . . 0.0 110.448 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -51.51 -19.8 1.61 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.916 2.486 . . . . 0.0 114.237 171.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -117.35 13.98 14.63 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.322 1.049 . . . . 0.0 111.534 -169.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -119.63 153.21 22.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 125.383 1.473 . . . . 0.0 109.467 -177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -119.44 118.04 30.05 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.02 140.54 37.93 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -175.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 78.1 mt -129.23 141.31 46.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 124.176 0.991 . . . . 0.0 108.93 -174.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.5 38.4 22.06 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.815 1.646 . . . . 0.0 112.782 172.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 109' ' ' THR . 2.2 p -112.83 164.7 8.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 C-N-CA 123.742 0.817 . . . . 0.0 110.828 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 154.37 40.82 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 123.882 0.873 . . . . 0.0 110.711 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.02 -42.36 76.37 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.13 0.972 . . . . 0.0 112.154 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -71.42 -34.65 70.49 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 119.434 1.015 . . . . 0.0 110.707 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 40' ' ' LEU . 16.9 m -63.9 -53.25 53.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.876 0.87 . . . . 0.0 108.8 174.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -45.38 91.21 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.268 0.627 . . . . 0.0 109.882 -178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -63.26 -37.34 86.86 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 118.724 -0.655 . . . . 0.0 111.271 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.52 -40.48 95.7 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.451 1.023 . . . . 0.0 110.669 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.54 -44.75 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.92 89.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.061 0.545 . . . . 0.0 110.321 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -68.03 -38.38 82.47 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.845 0.458 . . . . 0.0 111.713 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -59.14 -45.8 90.02 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.372 0.533 . . . . 0.0 110.581 170.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.99 -41.56 97.47 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.91 -0.493 . . . . 0.0 110.468 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -64.14 -41.81 97.06 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.593 0.633 . . . . 0.0 110.582 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 t-105 -60.6 -40.62 92.46 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.887 0.767 . . . . 0.0 110.983 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.51 -44.37 97.19 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.26 90.08 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.448 1.099 . . . . 0.0 111.964 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -58.29 -30.42 66.61 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.69 1.196 . . . . 0.0 111.34 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 141.71 87.16 0.1 Allowed Glycine 0 C--N 1.334 0.45 0 N-CA-C 108.645 -1.782 . . . . 0.0 108.645 178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -58.84 134.09 56.57 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 117.747 0.773 . . . . 0.0 110.363 175.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -145.49 -18.53 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.973 1.309 . . . . 0.0 112.717 169.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.9 p90 . . . . . 0 C--O 1.248 0.99 0 C-N-CA 128.979 2.911 . . . . 0.0 105.161 170.217 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.632 0.254 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.12 128.08 25.56 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 169.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -65.81 144.08 57.07 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 122.987 0.515 . . . . 0.0 109.743 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 m -147.73 165.8 5.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 126.755 2.022 . . . . 0.0 106.26 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.46 124.57 20.73 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.754 0.821 . . . . 0.0 110.255 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 ttt-85 -148.8 150.01 32.33 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 103.686 -2.709 . . . . 0.0 103.686 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -140.49 162.68 34.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 169.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -59.91 -27.67 66.94 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.225 0.921 . . . . 0.0 111.146 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 m -61.08 -42.86 99.28 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.826 0.85 . . . . 0.0 110.657 171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -66.69 -41.75 87.55 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 119.557 1.071 . . . . 0.0 109.729 177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -60.25 -46.13 90.86 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.498 0.59 . . . . 0.0 110.306 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -59.65 -51.17 70.94 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.078 0.951 . . . . 0.0 110.348 174.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.55 -46.42 79.57 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.409 -174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 tt -61.25 -42.75 94.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 119.514 1.052 . . . . 0.0 108.947 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -61.61 -44.51 96.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.35 0.66 . . . . 0.0 111.624 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.3 p -91.19 -13.37 33.01 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 118.353 -0.832 . . . . 0.0 113.186 -169.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -126.0 -30.05 3.01 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.717 1.144 . . . . 0.0 112.976 -170.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.5 mt -106.95 -30.58 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 119.231 0.923 . . . . 0.0 110.032 -174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -127.06 35.98 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.717 1.207 . . . . 0.0 108.962 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.8 m -15.33 -49.92 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.617 1 C-N-CA 131.78 4.032 . . . . 0.0 118.722 -169.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -138.68 5.39 2.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.932 1.293 . . . . 0.0 111.591 -174.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.53 143.26 50.01 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 124.662 1.185 . . . . 0.0 110.124 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -136.49 -2.4 2.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.409 1.084 . . . . 0.0 112.16 -176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -122.33 147.73 45.9 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.37 1.068 . . . . 0.0 109.434 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -53.41 -36.05 61.08 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 118.193 -0.908 . . . . 0.0 113.228 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -66.93 -42.95 84.46 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.655 1.116 . . . . 0.0 109.527 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -64.88 -43.16 93.84 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.384 0.674 . . . . 0.0 109.488 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.6 mtt180 -69.08 -33.79 74.1 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.149 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.17 90.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.708 0.686 . . . . 0.0 109.8 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.5 mmt -68.41 -37.23 80.12 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 118.695 0.68 . . . . 0.0 111.694 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.53 -50.67 61.37 Favored Glycine 0 CA--C 1.535 1.337 0 CA-C-N 119.09 0.859 . . . . 0.0 111.126 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -53.12 -52.27 59.21 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.262 0.625 . . . . 0.0 110.768 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -55.78 -48.14 75.83 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.238 0.615 . . . . 0.0 111.291 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -62.93 -52.19 64.01 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.374 0.534 . . . . 0.0 110.209 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -34.67 73.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.569 -0.853 . . . . 0.0 110.42 -177.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.14 -53.61 50.73 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-N 118.517 0.599 . . . . 0.0 109.74 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.04 -40.82 86.24 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 118.59 0.632 . . . . 0.0 110.929 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.21 -27.33 68.98 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -89.65 -38.77 13.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.897 0.879 . . . . 0.0 111.456 -177.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.0 mt -57.03 122.1 11.55 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 123.586 0.754 . . . . 0.0 109.878 -174.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.79 50.64 0.86 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.555 1.942 . . . . 0.0 108.982 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -71.36 153.07 94.14 Favored Pre-proline 0 CA--C 1.543 0.681 0 O-C-N 120.977 -1.077 . . . . 0.0 111.081 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -70.05 150.55 91.07 Favored 'Cis proline' 0 CA--C 1.538 0.714 0 CA-C-N 119.255 0.77 . . . . 0.0 110.844 -10.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -141.17 -168.15 2.55 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 125.282 1.433 . . . . 0.0 108.351 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptm -132.43 167.17 20.42 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 119.42 1.009 . . . . 0.0 112.033 177.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.52 -177.84 38.14 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-O 122.145 0.858 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -119.02 120.69 37.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 171.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.0 110.48 11.67 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 169.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -79.7 59.31 3.02 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.533 1.533 . . . . 0.0 108.075 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -52.91 137.68 31.82 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.778 1.631 . . . . 0.0 108.703 -172.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -118.41 -8.06 10.58 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.478 1.035 . . . . 0.0 111.902 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.6 m -68.58 19.36 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.212 2.205 . . . . 0.0 115.68 -169.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -74.49 10.28 1.39 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.418 -1.426 . . . . 0.0 114.119 -170.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt 65.25 -34.46 0.18 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.014 2.526 . . . . 0.0 113.702 -171.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.9 p -78.8 -2.06 37.8 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.54 1.064 . . . . 0.0 111.356 169.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m 62.36 12.18 5.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.442 1.897 . . . . 0.0 113.397 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -67.52 139.61 56.98 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 124.254 1.022 . . . . 0.0 108.792 174.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.4 mm -68.94 143.3 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 170.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -130.89 161.61 31.47 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 127.454 2.302 . . . . 0.0 105.121 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -131.12 104.03 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -103.49 117.2 33.91 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -68.22 133.34 48.69 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.14 146.54 25.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.166 0.587 . . . . 0.0 110.376 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.62 115.89 28.18 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 104.401 -2.444 . . . . 0.0 104.401 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 t -85.67 108.79 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.75 -30.39 51.52 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 123.216 0.606 . . . . 0.0 111.756 -169.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.34 179.65 34.3 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.199 -1.96 . . . . 0.0 108.199 -174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 97.1 mmm -64.04 149.28 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 172.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.29 169.31 12.26 Favored Pre-proline 0 CA--C 1.543 0.674 0 C-N-CA 123.691 0.797 . . . . 0.0 109.09 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.66 138.65 25.12 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.797 2.332 . . . . 0.0 111.885 169.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -58.07 -29.67 65.59 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 123.812 0.845 . . . . 0.0 112.01 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.66 -31.92 72.06 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.056 0.943 . . . . 0.0 112.129 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -81.92 -18.91 42.0 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.883 -0.51 . . . . 0.0 110.826 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.0 m -100.21 20.2 15.08 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.093 0.957 . . . . 0.0 112.56 -169.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 82.1 mt -76.08 -0.41 21.76 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.618 1.167 . . . . 0.0 112.516 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -146.18 -24.01 0.44 Allowed 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -154.83 136.6 14.44 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 -173.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.5 mmt -73.58 128.65 36.1 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.384 0.993 . . . . 0.0 109.706 -177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -122.56 153.11 39.68 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.595 1.158 . . . . 0.0 109.257 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.85 144.77 31.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 124.231 1.012 . . . . 0.0 108.85 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -77.53 140.32 39.73 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.6 m -141.4 140.74 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.44 0.696 . . . . 0.0 109.679 -173.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.28 135.81 48.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -82.75 63.56 6.94 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 124.383 1.073 . . . . 0.0 111.51 -169.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.47 -18.72 12.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 O-C-N 121.496 -0.752 . . . . 0.0 112.758 177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.1 -2.59 85.78 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.913 1.245 . . . . 0.0 113.067 175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -151.59 -97.43 0.16 Allowed Glycine 0 C--N 1.337 0.615 0 CA-C-N 119.123 1.461 . . . . 0.0 110.711 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -60.94 -34.03 74.09 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 117.758 0.779 . . . . 0.0 112.716 -171.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 60.7 -25.47 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 130.055 3.342 . . . . 0.0 116.093 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -116.0 10.2 15.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.966 1.706 . . . . 0.0 111.278 -172.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -135.69 163.49 30.04 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.127 0.971 . . . . 0.0 110.653 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 p -135.09 148.05 29.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.87 1.668 . . . . 0.0 110.234 -168.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -141.71 -172.03 3.46 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.495 2.318 . . . . 0.0 108.31 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.5 m -123.15 147.45 46.81 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 171.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.29 154.39 51.33 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.802 1.241 . . . . 0.0 109.709 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -71.76 125.0 26.02 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 104.786 -2.302 . . . . 0.0 104.786 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.6 tp -59.59 -34.25 72.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.084 0.856 . . . . 0.0 109.282 170.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -54.0 -12.16 0.55 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 129.06 2.944 . . . . 0.0 114.417 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -126.8 15.63 7.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.258 1.023 . . . . 0.0 111.705 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -119.13 155.47 21.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 125.554 1.542 . . . . 0.0 109.245 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -121.82 119.01 30.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.15 139.17 38.99 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.6 mt -131.3 144.54 37.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.481 1.113 . . . . 0.0 108.644 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.25 38.07 23.72 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.497 1.519 . . . . 0.0 113.08 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -115.18 168.45 6.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.846 0.858 . . . . 0.0 110.565 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.49 151.49 44.23 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 123.711 0.804 . . . . 0.0 110.492 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -55.52 -42.27 74.29 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.179 0.992 . . . . 0.0 111.898 -176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -73.91 -27.61 61.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.106 0.866 . . . . 0.0 111.2 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 105' ' ' VAL . 96.5 m -71.54 -49.22 42.86 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.97 -46.39 88.21 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -64.11 -38.33 90.69 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.451 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.81 97.86 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.666 1.121 . . . . 0.0 110.45 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.36 -46.11 84.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.485 0.714 . . . . 0.0 109.093 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.52 91.0 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.119 0.568 . . . . 0.0 110.346 178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.76 -35.51 77.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 119.256 -0.402 . . . . 0.0 112.024 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -60.33 -47.42 86.1 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.583 0.629 . . . . 0.0 110.139 170.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.44 -45.05 95.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 122.692 0.397 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-30 -62.22 -45.58 92.71 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.623 0.769 . . . . 0.0 110.758 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -57.85 -47.27 83.18 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 122.959 0.504 . . . . 0.0 110.559 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.23 -47.68 84.95 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.84 -31.1 72.17 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.477 -174.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 12.4 ttt-85 -68.04 -16.18 63.92 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.54 81.66 0.28 Allowed Glycine 0 C--N 1.335 0.522 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -175.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -47.12 131.52 12.62 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.063 0.945 . . . . 0.0 111.703 173.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -132.09 -28.11 1.76 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 124.831 1.252 . . . . 0.0 110.926 169.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 127.792 2.437 . . . . 0.0 106.452 178.783 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.483 1.214 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.95 -34.32 59.35 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 -171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 m -55.58 -11.02 0.77 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.602 1.961 . . . . 0.0 115.042 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -58.98 -26.79 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 123.759 0.824 . . . . 0.0 111.972 169.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -140.66 -55.26 0.51 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.128 0.876 . . . . 0.0 109.712 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 41.85 40.36 1.51 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.327 2.251 . . . . 0.0 114.509 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -148.17 127.52 13.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.21 -11.05 56.35 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -171.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.4 m -56.04 -34.54 65.97 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.141 0.882 . . . . 0.0 110.5 175.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -59.55 -53.46 57.78 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 118.718 0.69 . . . . 0.0 110.42 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -56.92 -48.24 78.71 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 123.788 0.835 . . . . 0.0 110.165 177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -60.49 -48.85 79.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.191 0.596 . . . . 0.0 111.144 -177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -68.97 -45.94 69.39 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.397 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.6 tt -60.15 -40.71 84.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 120.631 1.56 . . . . 0.0 109.916 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.57 -33.52 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.928 1.291 . . . . 0.0 112.564 175.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.8 p -102.91 4.75 37.94 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.5 0.72 . . . . 0.0 112.697 -174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -132.36 -37.09 1.1 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 119.233 0.924 . . . . 0.0 113.089 -173.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 70.1 mt -122.16 -37.65 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 119.217 0.917 . . . . 0.0 111.947 -168.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 pt -116.53 23.46 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 119.007 0.821 . . . . 0.0 110.882 -172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG23 ' H ' ' A' ' 20' ' ' VAL . 1.8 t -56.68 -38.19 56.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.57 1.148 . . . . 0.0 111.689 -171.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -81.91 -15.18 54.79 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.658 0.783 . . . . 0.0 112.39 -177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.05 149.9 37.42 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.734 -0.603 . . . . 0.0 111.142 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -134.87 -7.43 2.4 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.75 1.22 . . . . 0.0 111.106 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.34 152.39 41.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.057 1.343 . . . . 0.0 108.941 -171.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.1 -31.48 30.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -71.36 -42.61 68.24 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.219 0.918 . . . . 0.0 109.103 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -68.97 -35.19 76.44 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -59.17 -41.41 88.34 Favored 'General case' 0 C--O 1.232 0.139 0 O-C-N 121.565 -0.709 . . . . 0.0 110.444 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.85 -38.8 92.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.021 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 28.6 mmt -61.82 -42.86 99.55 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.921 0.782 . . . . 0.0 111.215 175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.6 63.3 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 118.963 0.801 . . . . 0.0 111.259 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 m95 -57.09 -49.06 77.04 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.84 0.456 . . . . 0.0 110.889 174.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.4 -47.75 82.87 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.044 0.538 . . . . 0.0 110.352 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -58.84 -55.84 29.94 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.097 0.959 . . . . 0.0 110.522 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -69.24 -36.98 77.76 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.055 -176.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -65.69 -51.37 59.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.205 0.457 . . . . 0.0 109.926 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.47 -38.21 83.52 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.495 0.589 . . . . 0.0 110.995 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -66.37 -25.19 66.68 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 174.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -93.03 -37.94 11.9 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.675 0.79 . . . . 0.0 111.584 -176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.6 mt -58.21 121.82 11.65 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.629 0.772 . . . . 0.0 109.759 -175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.78 51.57 1.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.734 2.014 . . . . 0.0 108.895 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -71.07 155.3 93.44 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 121.108 -0.995 . . . . 0.0 111.426 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.94 152.96 90.69 Favored 'Cis proline' 0 CA--C 1.537 0.644 0 CA-C-N 119.306 0.788 . . . . 0.0 111.083 -10.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -141.4 -168.32 2.61 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.234 1.414 . . . . 0.0 108.526 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -135.3 169.58 17.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 119.48 1.036 . . . . 0.0 111.552 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.23 -179.58 40.76 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-O 121.773 0.651 . . . . 0.0 111.883 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -115.31 120.77 40.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 169.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -77.27 105.4 8.35 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 103.995 -2.595 . . . . 0.0 103.995 168.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -77.25 53.79 1.04 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.932 1.693 . . . . 0.0 107.313 174.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -47.72 112.37 0.55 Allowed 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 126.141 1.777 . . . . 0.0 112.412 -168.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -80.91 -18.2 47.98 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.208 0.603 . . . . 0.0 111.672 170.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.2 m -66.57 18.31 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.677 1.991 . . . . 0.0 116.137 -169.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -67.17 172.7 4.41 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 120.13 1.332 . . . . 0.0 109.948 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.05 -46.64 88.85 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.819 -0.55 . . . . 0.0 109.7 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -85.1 172.32 11.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 109.383 172.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.8 m -68.94 -8.06 40.91 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.216 -0.927 . . . . 0.0 112.981 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.7 m -55.22 133.41 49.21 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.645 1.578 . . . . 0.0 110.492 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.4 mt -77.26 150.22 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.645 0.736 . . . . 0.0 109.326 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -125.98 162.0 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.274 1.829 . . . . 0.0 106.173 169.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -130.71 105.3 7.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -169.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -114.36 118.15 33.05 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.8 m -69.93 132.32 45.78 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 m -137.79 145.96 28.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.357 0.663 . . . . 0.0 110.757 -174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -96.93 122.32 39.78 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 103.722 -2.696 . . . . 0.0 103.722 168.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.4 t -91.17 109.02 20.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.45 -34.77 79.07 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 123.154 0.581 . . . . 0.0 110.406 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.83 -176.16 33.42 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -173.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 9.0 tpt -62.67 145.48 54.53 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.067 0.547 . . . . 0.0 109.596 174.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 167.88 11.2 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.571 0.749 . . . . 0.0 111.102 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.62 150.6 5.86 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.15 2.567 . . . . 0.0 112.818 171.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -55.93 -33.31 64.59 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.104 0.962 . . . . 0.0 111.384 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -67.93 -30.57 69.92 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.239 1.016 . . . . 0.0 112.355 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -75.65 -42.67 50.75 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.0 m -78.05 15.79 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.422 1.089 . . . . 0.0 113.634 -173.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -15.88 61.89 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.772 1.229 . . . . 0.0 112.488 -177.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -142.16 -31.94 0.52 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.635 0.774 . . . . 0.0 112.898 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -145.79 156.79 43.82 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.312 1.045 . . . . 0.0 109.309 -169.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mmt -85.78 118.67 25.41 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 123.777 0.831 . . . . 0.0 109.589 -173.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -129.05 153.0 48.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.253 1.021 . . . . 0.0 109.634 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.17 145.91 32.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 124.247 1.019 . . . . 0.0 108.644 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -81.32 139.4 35.41 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 171.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -141.7 139.43 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 123.746 0.819 . . . . 0.0 110.046 -171.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.48 135.17 44.6 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 171.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -80.5 66.23 5.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 124.175 0.99 . . . . 0.0 110.159 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.1 pt -59.54 -13.47 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 121.38 -0.825 . . . . 0.0 112.702 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.69 -10.47 65.12 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 118.21 -1.328 . . . . 0.0 113.246 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -146.48 -25.49 0.09 OUTLIER Glycine 0 CA--C 1.53 0.969 0 CA-C-N 119.612 1.706 . . . . 0.0 116.127 -169.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.26 -40.11 0.47 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.651 1.725 . . . . 0.0 111.517 -175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 60.51 -34.38 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 129.801 3.241 . . . . 0.0 115.487 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.71 0.51 57.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.254 1.421 . . . . 0.0 113.176 -169.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -137.8 164.03 29.92 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.287 -0.883 . . . . 0.0 111.045 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.0 t -130.83 148.42 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.805 1.642 . . . . 0.0 109.228 -169.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -141.47 -173.48 3.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 128.113 2.565 . . . . 0.0 107.398 -176.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.6 m -123.89 147.71 47.44 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 174.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.73 148.65 50.33 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.802 1.241 . . . . 0.0 109.017 177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 129.34 38.61 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 169.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.1 tp -60.1 -31.49 70.09 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -49.4 -23.19 1.39 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.349 171.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -116.22 12.89 15.56 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.979 0.809 . . . . 0.0 112.14 -172.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.43 155.09 19.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 C-N-CA 125.226 1.41 . . . . 0.0 109.416 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -122.23 131.65 54.04 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 169.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.44 140.96 32.04 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -129.35 142.42 44.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 125.002 1.321 . . . . 0.0 107.556 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 57.97 21.54 7.85 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.806 1.642 . . . . 0.0 114.084 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -79.68 166.31 2.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.165 0.986 . . . . 0.0 111.618 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.94 161.96 27.96 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 168.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.34 -42.43 86.84 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.265 0.626 . . . . 0.0 112.429 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -70.04 -39.97 75.43 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.242 0.928 . . . . 0.0 110.579 -175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.5 m -60.1 -49.82 76.12 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.81 1.244 . . . . 0.0 110.187 172.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -59.59 -47.33 86.0 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.685 0.675 . . . . 0.0 109.759 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -62.41 -36.98 84.04 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.056 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -41.41 92.57 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.373 0.988 . . . . 0.0 110.835 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -67.22 -45.49 86.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.85 82.78 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.45 0.7 . . . . 0.0 110.806 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -60.04 -46.41 89.61 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.773 0.829 . . . . 0.0 110.655 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.6 t-105 -60.78 -44.39 96.86 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-O 119.621 -0.228 . . . . 0.0 110.766 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.5 mt -63.16 -44.86 94.28 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.113 0.415 . . . . 0.0 110.331 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -63.05 -41.93 99.59 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.298 0.639 . . . . 0.0 110.6 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -63.14 -49.77 73.05 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.551 177.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.5 tp -66.22 -29.19 69.4 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.754 1.161 . . . . 0.0 110.817 -174.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.59 -32.86 73.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.958 0.903 . . . . 0.0 112.418 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -69.32 -30.32 68.36 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.829 0.852 . . . . 0.0 109.042 169.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 139.68 170.16 11.85 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 126.867 2.175 . . . . 0.0 109.753 173.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -56.07 -51.63 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 169.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm 56.18 0.28 0.06 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 128.13 2.572 . . . . 0.0 116.537 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--O 1.249 1.046 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 175.048 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 ttp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.85 137.86 42.11 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 169.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -61.69 -21.44 64.46 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.4 -7.44 9.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.62 1.168 . . . . 0.0 112.826 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.29 68.84 0.77 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.682 1.193 . . . . 0.0 109.468 171.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.2 tpt85 -54.61 -46.79 73.91 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.385 1.074 . . . . 0.0 111.278 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -166.98 152.56 7.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.05 -19.43 64.38 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -50.96 -41.55 59.34 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.681 1.128 . . . . 0.0 111.225 169.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -63.71 -43.7 95.82 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -60.32 -50.38 73.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.411 0.685 . . . . 0.0 109.318 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -63.62 -50.0 71.08 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.424 0.29 . . . . 0.0 110.782 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -67.28 -41.5 85.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 117.902 -1.046 . . . . 0.0 111.193 -173.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 tt -61.2 -44.77 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.863 1.21 . . . . 0.0 108.699 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.03 -39.82 95.89 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.545 1.138 . . . . 0.0 111.605 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.5 p -94.45 -1.42 53.61 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -171.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -129.73 -30.17 2.08 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 119.231 0.923 . . . . 0.0 112.787 -171.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.7 mt -110.66 -32.96 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 119.624 1.102 . . . . 0.0 111.241 -171.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.31 11.71 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 118.683 0.674 . . . . 0.0 112.645 -176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.58 -35.61 64.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.159 0.984 . . . . 0.0 111.819 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -80.83 2.08 27.92 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.032 1.333 . . . . 0.0 112.562 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.23 159.47 42.07 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 124.622 1.169 . . . . 0.0 110.414 -169.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.81 -0.7 2.09 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -169.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -135.99 151.42 49.89 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.518 1.127 . . . . 0.0 108.637 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 pttm -44.41 -40.35 5.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.231 1.413 . . . . 0.0 113.618 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.98 -46.29 36.34 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 119.244 0.929 . . . . 0.0 108.71 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -64.34 -36.98 85.88 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.84 0.856 . . . . 0.0 109.872 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -73.28 -34.07 65.57 Favored 'General case' 0 C--O 1.231 0.093 0 O-C-N 121.466 -0.771 . . . . 0.0 110.998 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.6 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 119.146 0.884 . . . . 0.0 109.502 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 36.7 mmt -66.63 -39.18 88.16 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.674 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.22 -52.22 45.5 Favored Glycine 0 CA--C 1.535 1.3 0 CA-C-N 119.471 1.032 . . . . 0.0 111.325 172.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -54.59 -50.58 67.69 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.402 0.681 . . . . 0.0 110.913 173.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -56.52 -47.66 78.89 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.163 0.585 . . . . 0.0 110.957 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.03 -52.19 64.94 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.404 -171.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -70.28 -36.75 74.6 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 118.598 -1.241 . . . . 0.0 110.004 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.39 -49.95 67.33 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.673 0.669 . . . . 0.0 109.838 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.63 -39.09 83.17 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.353 0.661 . . . . 0.0 110.971 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 175.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 83.5 m -93.96 -37.8 11.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.695 0.798 . . . . 0.0 111.671 -175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.58 123.18 15.4 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.489 0.716 . . . . 0.0 109.642 -175.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.47 51.7 1.08 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.362 1.865 . . . . 0.0 108.835 171.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -70.99 153.03 94.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 O-C-N 120.983 -1.073 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -70.16 150.74 91.66 Favored 'Cis proline' 0 CA--C 1.538 0.699 0 CA-C-N 119.25 0.768 . . . . 0.0 110.669 -10.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -141.09 -170.15 2.99 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.141 1.376 . . . . 0.0 108.334 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptm -131.72 166.9 20.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 119.649 1.113 . . . . 0.0 112.056 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.96 -178.56 38.92 Favored Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.136 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -114.3 122.64 47.34 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 169.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -75.98 105.77 7.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -84.54 50.35 1.87 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.695 1.598 . . . . 0.0 108.012 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -52.71 117.64 3.07 Favored 'General case' 0 N--CA 1.458 -0.05 0 C-N-CA 124.793 1.237 . . . . 0.0 110.577 -168.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -84.45 -18.87 34.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.813 0.279 . . . . 0.0 111.503 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -60.24 115.05 3.22 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.272 1.029 . . . . 0.0 110.364 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -159.24 178.71 9.7 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.263 1.825 . . . . 0.0 106.811 171.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.05 -50.2 74.29 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -81.68 175.46 10.45 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.279 1.432 . . . . 0.0 109.709 170.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.6 m -77.56 4.18 11.87 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.077 -1.015 . . . . 0.0 113.107 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.6 m -62.91 133.19 54.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.207 1.403 . . . . 0.0 111.321 -169.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mm -67.36 144.28 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 170.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -126.08 155.25 41.86 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 126.719 2.008 . . . . 0.0 105.581 169.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.37 116.54 18.43 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -169.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -123.47 122.63 38.73 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.6 m -70.95 132.76 45.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.9 m -139.87 146.95 24.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.0 0.52 . . . . 0.0 110.562 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -96.95 115.43 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -83.09 108.79 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -77.24 -30.41 54.5 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.085 0.554 . . . . 0.0 111.657 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.13 -179.62 34.62 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.49 149.71 48.06 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.344 -0.504 . . . . 0.0 110.426 173.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 171.15 6.91 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 123.984 0.914 . . . . 0.0 109.562 169.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.45 146.63 13.94 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.675 2.25 . . . . 0.0 112.254 171.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -57.84 -29.14 64.72 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.208 0.603 . . . . 0.0 111.708 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.69 -34.31 77.57 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.706 0.802 . . . . 0.0 111.922 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.7 -40.56 72.79 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.3 15.44 0.96 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -171.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.0 mt -75.22 -7.61 54.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.0 0.92 . . . . 0.0 112.249 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.78 -25.59 0.68 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -176.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -151.85 147.9 27.17 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 -176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -76.92 84.6 3.47 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -78.42 150.32 33.1 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.837 -0.539 . . . . 0.0 109.647 175.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.1 m -135.22 145.51 31.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 124.47 1.108 . . . . 0.0 108.771 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -77.52 143.64 38.27 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 169.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.16 142.28 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -169.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.63 135.36 54.0 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 172.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.6 65.51 7.76 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.288 1.035 . . . . 0.0 111.182 -171.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.84 -17.98 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 O-C-N 121.487 -0.758 . . . . 0.0 112.573 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.84 -3.6 87.87 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.904 1.24 . . . . 0.0 113.03 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -153.29 -95.38 0.12 Allowed Glycine 0 C--N 1.337 0.61 0 CA-C-N 119.225 1.513 . . . . 0.0 111.098 -175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.33 -35.4 75.55 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 117.753 0.777 . . . . 0.0 112.481 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.5 t70 60.34 -26.07 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 130.268 3.427 . . . . 0.0 116.292 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.36 9.09 15.52 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.877 1.671 . . . . 0.0 111.257 -172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -135.27 163.39 30.08 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.914 0.886 . . . . 0.0 110.937 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.19 145.86 34.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.028 1.731 . . . . 0.0 109.291 -168.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -136.19 -174.67 3.75 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.208 2.203 . . . . 0.0 108.224 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 m -118.31 145.01 45.41 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 171.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.66 156.51 48.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.821 1.248 . . . . 0.0 109.25 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.8 128.58 33.82 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 105.869 -1.9 . . . . 0.0 105.869 173.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.0 tp -59.91 -32.63 70.93 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.496 1.044 . . . . 0.0 109.569 169.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 m -54.3 -14.97 1.34 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 127.857 2.463 . . . . 0.0 114.198 172.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -123.55 15.23 9.55 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.131 1.373 . . . . 0.0 110.637 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -123.78 155.85 30.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 125.739 1.616 . . . . 0.0 109.509 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -124.25 118.72 27.45 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.96 140.14 40.36 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.1 mt -130.63 142.85 42.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 124.627 1.171 . . . . 0.0 108.516 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.29 36.71 20.29 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.599 1.56 . . . . 0.0 113.273 171.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -110.46 168.71 4.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 C-N-CA 123.832 0.853 . . . . 0.0 110.642 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.45 151.83 43.21 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.862 0.865 . . . . 0.0 110.514 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -56.11 -42.97 77.64 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.089 0.956 . . . . 0.0 111.974 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -72.9 -27.29 61.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.271 0.941 . . . . 0.0 111.069 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.439 HG21 HG21 ' A' ' 105' ' ' VAL . 92.2 m -72.52 -49.2 34.53 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.26 -45.74 90.39 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -63.08 -41.64 99.47 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 118.266 -0.874 . . . . 0.0 110.974 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.54 -38.69 90.97 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.913 1.233 . . . . 0.0 111.042 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 87.4 mt -69.55 -45.67 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.92 78.97 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.365 0.53 . . . . 0.0 111.056 175.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.87 -42.77 94.57 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.044 0.938 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -62.97 -44.96 94.63 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 123.084 0.554 . . . . 0.0 110.63 172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.52 -46.89 86.33 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 119.258 -0.401 . . . . 0.0 110.443 -176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -33.9 72.23 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.736 0.698 . . . . 0.0 110.74 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -58.86 -39.16 80.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 119.445 1.02 . . . . 0.0 111.146 172.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.02 -43.66 86.99 Favored 'General case' 0 N--CA 1.451 -0.376 0 O-C-N 121.429 -0.795 . . . . 0.0 108.896 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.748 0.819 . . . . 0.0 112.332 174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 47.2 tpt85 -62.76 -26.95 68.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 117.776 -1.107 . . . . 0.0 112.155 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 160.56 -11.57 0.15 Allowed Glycine 0 CA--C 1.527 0.836 0 CA-C-O 117.709 -1.606 . . . . 0.0 115.505 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 9.2 t80 42.25 57.39 3.34 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.144 1.472 . . . . 0.0 112.32 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -124.63 -7.22 7.42 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -169.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.249 1.035 0 C-N-CA 125.852 1.661 . . . . 0.0 111.052 -172.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.45 -26.24 65.41 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.896 -0.503 . . . . 0.0 112.331 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -74.97 55.02 0.69 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.889 2.076 . . . . 0.0 111.611 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 m -65.04 -23.6 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 125.344 1.458 . . . . 0.0 113.003 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -66.72 152.76 44.84 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.06 1.344 . . . . 0.0 111.263 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -68.81 -30.91 69.57 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 119.005 -0.521 . . . . 0.0 112.274 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -160.45 144.65 14.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.043 0.937 . . . . 0.0 108.812 -174.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -60.85 -13.01 12.8 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.313 1.445 . . . . 0.0 113.778 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.3 m -50.14 -33.85 20.32 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.29 1.036 . . . . 0.0 111.049 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -60.15 -47.94 83.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.892 1.224 . . . . 0.0 110.879 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -70.24 -43.84 69.77 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.252 0.478 . . . . 0.0 110.324 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -58.44 -50.34 74.05 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.845 0.458 . . . . 0.0 109.952 177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -64.64 -50.62 66.4 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.577 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.13 -41.57 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.335 0.97 . . . . 0.0 110.058 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.98 -41.22 97.78 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.779 0.832 . . . . 0.0 111.215 177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -98.9 1.49 45.71 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -169.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -136.91 -10.59 1.77 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.6 mm -113.52 -45.73 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 CA-C-N 120.402 1.455 . . . . 0.0 111.34 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.9 pt -121.23 16.48 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.631 0.772 . . . . 0.0 113.005 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -35.46 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.573 1.149 . . . . 0.0 111.466 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -89.34 2.26 54.63 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.322 -173.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.66 140.68 52.22 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 124.698 1.199 . . . . 0.0 109.665 -170.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.62 1.85 3.42 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.16 0.984 . . . . 0.0 111.594 -173.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -129.61 145.49 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 124.698 1.199 . . . . 0.0 108.495 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -34.12 43.54 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.49 -43.77 65.96 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 119.63 1.104 . . . . 0.0 109.099 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.54 -38.43 87.11 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.051 0.54 . . . . 0.0 109.794 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -70.9 -32.03 68.86 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 118.436 -0.792 . . . . 0.0 111.446 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.24 96.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.95 0.795 . . . . 0.0 109.861 170.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.2 mmt -65.45 -42.78 91.99 Favored 'General case' 0 C--N 1.339 0.134 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.246 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.31 -50.68 55.27 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 119.009 0.822 . . . . 0.0 111.18 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -53.83 -57.15 11.97 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.292 0.637 . . . . 0.0 110.834 172.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -53.2 -46.75 69.16 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.531 0.732 . . . . 0.0 111.315 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.11 -54.25 46.9 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 119.129 -0.462 . . . . 0.0 109.815 -173.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -36.13 70.85 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 119.59 -0.844 . . . . 0.0 110.612 -175.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tt -65.62 -54.04 33.18 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.68 -38.6 88.39 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.138 0.881 . . . . 0.0 111.413 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -63.24 -26.47 68.8 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 173.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.2 m -87.55 -30.04 20.84 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.973 0.909 . . . . 0.0 111.241 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -59.02 123.7 17.45 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 119.1 0.864 . . . . 0.0 108.689 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.67 48.86 1.11 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.893 1.277 . . . . 0.0 109.137 172.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -64.52 154.35 84.53 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.277 1.031 . . . . 0.0 111.38 -175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -70.69 154.18 95.66 Favored 'Cis proline' 0 CA--C 1.538 0.71 0 CA-C-N 119.22 0.757 . . . . 0.0 111.021 -10.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -144.82 -167.88 2.78 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.24 1.416 . . . . 0.0 108.224 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.38 167.39 20.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.486 1.039 . . . . 0.0 112.283 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -164.38 -178.46 37.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.412 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -116.8 121.7 42.3 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -77.59 107.9 10.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.56 49.17 1.53 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.919 1.688 . . . . 0.0 108.996 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.53 119.2 5.69 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.83 1.252 . . . . 0.0 109.839 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.88 134.79 55.8 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 172.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -62.87 163.22 9.86 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.416 1.086 . . . . 0.0 111.895 -176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.582 ' H ' ' HD2' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.13 102.11 0.05 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.334 1.854 . . . . 0.0 110.417 -173.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 95.7 mttt 43.48 37.88 1.61 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.462 1.505 . . . . 0.0 112.508 -174.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.73 149.17 43.29 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.08 0.952 . . . . 0.0 109.496 -174.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.5 m -70.43 -17.03 63.0 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 112.91 -176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -58.61 163.53 3.18 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.941 1.696 . . . . 0.0 110.436 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 28.9 mt -130.0 141.43 46.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 C-N-CA 124.323 1.049 . . . . 0.0 108.419 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -106.62 144.39 33.34 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -124.43 92.71 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -172.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -96.47 119.79 35.6 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.9 m -70.39 132.33 45.46 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -139.18 146.49 25.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 C-N-CA 123.131 0.573 . . . . 0.0 110.98 -174.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.38 132.39 41.95 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 104.079 -2.564 . . . . 0.0 104.079 168.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.4 t -106.63 112.98 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 -172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.2 mp -79.62 -30.18 41.3 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.89 0.876 . . . . 0.0 111.714 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 152.85 174.18 23.01 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 107.218 -2.353 . . . . 0.0 107.218 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.3 mtp -65.41 151.84 45.34 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 117.919 0.86 . . . . 0.0 111.087 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -70.49 176.03 2.16 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 125.372 1.469 . . . . 0.0 111.297 -178.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 92.5 Cg_exo -46.84 147.76 4.48 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.311 2.674 . . . . 0.0 112.808 169.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.01 -40.45 67.02 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.82 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.74 -28.03 66.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.609 0.764 . . . . 0.0 112.033 -176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -75.7 -45.43 36.9 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.355 -0.84 . . . . 0.0 109.488 170.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.0 m -70.95 6.36 1.59 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.49 1.116 . . . . 0.0 113.274 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.58 -7.76 59.63 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.179 2.192 . . . . 0.0 112.404 -172.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -137.63 -30.62 0.82 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.147 0.979 . . . . 0.0 112.574 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.63 159.3 36.86 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.9 mmt -86.0 129.39 34.85 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 119.875 1.216 . . . . 0.0 109.0 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -132.39 157.05 45.53 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 124.128 0.971 . . . . 0.0 110.076 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.8 m -138.45 145.71 27.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 124.184 0.994 . . . . 0.0 109.583 -178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.76 140.73 42.54 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 169.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -144.13 144.11 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -169.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -113.8 138.64 49.98 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 172.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -84.07 61.93 6.76 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 124.924 1.29 . . . . 0.0 110.322 -170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.2 pt -58.0 -17.5 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.198 -0.939 . . . . 0.0 112.836 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.36 -11.37 78.15 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 118.43 -1.206 . . . . 0.0 113.377 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -142.11 -44.58 0.06 OUTLIER Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.447 1.623 . . . . 0.0 114.324 -170.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.9 pttp -161.79 73.04 0.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 126.536 1.935 . . . . 0.0 106.449 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -49.01 -30.9 6.67 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.954 1.702 . . . . 0.0 112.383 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -67.88 -15.13 63.47 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.913 1.285 . . . . 0.0 113.39 -177.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -120.51 156.42 31.57 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 119.395 0.998 . . . . 0.0 111.774 -174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -135.15 144.69 33.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 125.471 1.508 . . . . 0.0 109.088 -168.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.92 -170.96 3.25 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.23 2.212 . . . . 0.0 107.953 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.6 m -118.63 144.85 45.88 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 169.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.33 152.7 51.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.664 1.186 . . . . 0.0 109.222 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -72.34 124.98 26.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 105.71 -1.959 . . . . 0.0 105.71 174.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 40.7 tp -61.96 -35.67 79.16 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -53.52 -13.17 0.56 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 128.953 2.901 . . . . 0.0 114.218 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -124.45 15.59 8.91 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.467 1.107 . . . . 0.0 111.667 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.7 mt -119.58 154.1 22.25 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 C-N-CA 124.947 1.299 . . . . 0.0 109.547 -176.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -121.75 118.59 29.43 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -77.9 139.38 39.23 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 87.5 mt -129.81 141.84 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.315 1.046 . . . . 0.0 108.654 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.48 38.27 25.03 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.539 1.536 . . . . 0.0 113.013 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HG21 ' A' ' 109' ' ' THR . 3.1 p -114.0 167.27 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.824 0.85 . . . . 0.0 110.826 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.51 152.4 45.28 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 123.921 0.889 . . . . 0.0 110.75 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.53 -40.61 68.8 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.579 1.152 . . . . 0.0 112.185 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -73.7 -31.17 63.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.334 0.97 . . . . 0.0 111.037 -176.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG21 ' A' ' 105' ' ' VAL . 97.1 m -68.98 -50.71 46.61 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 172.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.81 -45.77 85.63 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.72 -38.57 91.62 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.635 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.74 96.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 120.019 1.281 . . . . 0.0 110.484 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.6 mt -68.27 -45.97 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 108.928 -0.768 . . . . 0.0 108.928 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.72 -43.0 94.34 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.196 0.598 . . . . 0.0 110.355 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -68.09 -35.65 78.52 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 122.682 0.393 . . . . 0.0 111.472 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -61.02 -48.28 82.51 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.322 0.51 . . . . 0.0 110.493 170.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.36 -42.05 98.07 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -62.9 -46.06 89.61 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.203 1.001 . . . . 0.0 110.87 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -57.35 -46.13 83.64 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.593 0.633 . . . . 0.0 110.128 174.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 36.8 tp -66.21 -32.07 73.27 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.49 0.586 . . . . 0.0 110.481 -174.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.2 72.77 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.346 0.658 . . . . 0.0 111.629 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.6 ttp-105 -67.73 -25.61 65.73 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.338 1.055 . . . . 0.0 112.401 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.89 175.89 38.63 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -174.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -149.43 51.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 122.291 1.043 . . . . 0.0 109.864 -175.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -72.93 -32.29 65.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.415 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 128.271 2.628 . . . . 0.0 106.274 -179.695 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.81 0.12 2.9 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.102 0.961 . . . . 0.0 112.013 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -77.35 34.56 0.17 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.526 1.93 . . . . 0.0 113.868 -169.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.42 -14.25 16.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 110.517 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -57.57 -12.05 2.49 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.118 1.367 . . . . 0.0 112.544 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -53.57 -21.67 7.0 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.079 0.952 . . . . 0.0 112.884 169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -128.15 78.03 1.81 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.427 1.091 . . . . 0.0 108.822 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -56.82 -20.33 22.05 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.272 1.029 . . . . 0.0 112.414 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -50.53 -46.3 57.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.117 0.871 . . . . 0.0 110.519 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -67.65 -38.01 83.22 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-O 118.658 -0.687 . . . . 0.0 110.458 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.27 -47.26 83.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.359 0.664 . . . . 0.0 109.325 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -63.95 -47.64 79.63 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 122.602 0.361 . . . . 0.0 110.591 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -67.23 -43.97 80.65 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 118.066 -0.968 . . . . 0.0 111.416 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 tt -61.63 -43.62 97.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 120.238 1.381 . . . . 0.0 109.157 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -57.53 -39.03 75.71 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 124.687 1.195 . . . . 0.0 111.684 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.8 p -100.44 -3.33 31.15 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -169.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -132.52 -25.48 1.92 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.511 1.051 . . . . 0.0 113.347 -171.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.3 mt -121.21 -31.95 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 119.24 0.927 . . . . 0.0 110.792 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 pt -124.0 9.54 4.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.861 0.865 . . . . 0.0 111.255 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.05 -35.28 64.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.031 0.932 . . . . 0.0 111.522 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.58 2.26 22.98 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.286 1.434 . . . . 0.0 112.415 -177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.83 138.0 50.77 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.172 1.389 . . . . 0.0 109.281 -169.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -126.91 -6.58 6.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.747 1.219 . . . . 0.0 111.379 -169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -129.93 148.58 51.81 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.777 1.231 . . . . 0.0 108.87 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -54.8 -33.19 61.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 -175.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.88 -42.29 90.5 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.688 1.131 . . . . 0.0 109.696 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -66.75 -38.44 86.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.131 0.572 . . . . 0.0 109.615 177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -70.68 -29.65 66.02 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.643 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.09 -39.94 94.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.018 0.826 . . . . 0.0 109.342 169.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.7 mmt -67.39 -39.3 85.58 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.707 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.0 -52.44 46.78 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 119.445 1.02 . . . . 0.0 111.179 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -53.27 -53.58 48.76 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.412 0.685 . . . . 0.0 111.206 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -55.85 -48.08 76.14 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.18 0.592 . . . . 0.0 111.047 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.68 -51.76 67.08 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.35 0.523 . . . . 0.0 110.053 -173.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -36.39 71.71 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.565 -176.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.29 -51.7 62.24 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.722 0.692 . . . . 0.0 109.812 -178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.32 -39.78 84.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 118.633 0.651 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.3 -25.41 67.61 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -94.46 -35.61 12.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.727 0.811 . . . . 0.0 111.955 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.5 121.19 10.9 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.918 0.781 . . . . 0.0 108.919 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -81.51 48.68 1.2 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.933 1.293 . . . . 0.0 109.447 174.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -63.99 155.44 78.19 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 124.058 0.943 . . . . 0.0 111.568 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.98 153.72 91.04 Favored 'Cis proline' 0 CA--C 1.538 0.68 0 CA-C-N 119.325 0.795 . . . . 0.0 111.185 -9.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -143.44 -171.69 3.55 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.086 1.354 . . . . 0.0 108.663 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 ptm -129.81 167.04 18.73 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 119.546 1.066 . . . . 0.0 111.798 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.79 -176.43 37.81 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-O 122.182 0.879 . . . . 0.0 111.706 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -118.44 120.65 38.19 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 169.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.4 ' CZ2' ' HE2' ' A' ' 50' ' ' LYS . 4.4 t90 -77.43 108.99 10.97 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 169.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -82.14 48.49 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.16 1.784 . . . . 0.0 108.539 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HE2' ' CZ2' ' A' ' 48' ' ' TRP . 40.2 ttmt -55.54 122.92 12.38 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 124.138 0.975 . . . . 0.0 110.496 -168.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -80.95 38.6 0.46 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.716 0.806 . . . . 0.0 111.895 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 m 43.2 -129.94 0.72 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.763 1.625 . . . . 0.0 111.715 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -122.38 -138.88 0.31 Allowed 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -52.83 -26.76 15.52 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.506 1.048 . . . . 0.0 111.717 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 p -51.71 -26.85 10.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.281 1.833 . . . . 0.0 113.599 171.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m 58.54 1.56 0.18 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.278 2.231 . . . . 0.0 116.691 169.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 59.5 m -80.82 141.75 34.37 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.1 mt -77.32 144.01 12.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.981 0.896 . . . . 0.0 109.483 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -127.69 154.63 45.08 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 127.059 2.143 . . . . 0.0 105.47 169.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -126.73 107.1 9.86 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -169.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -111.52 120.62 42.75 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 m -71.02 132.97 45.93 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.75 155.44 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.261 0.624 . . . . 0.0 111.379 -172.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -107.91 115.75 30.71 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 169.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 t -86.36 114.14 25.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 105.832 -1.914 . . . . 0.0 105.832 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.1 mt -79.98 -28.24 39.54 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.249 0.62 . . . . 0.0 112.211 -169.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.37 177.7 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 107.86 -2.096 . . . . 0.0 107.86 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 11.2 mtp -64.4 149.58 48.09 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.056 -0.673 . . . . 0.0 110.358 171.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 168.97 9.14 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.701 0.801 . . . . 0.0 109.311 169.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -47.99 141.53 16.99 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.625 2.217 . . . . 0.0 112.014 170.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.88 -28.98 64.66 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -60.94 -31.25 70.79 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.396 1.078 . . . . 0.0 112.478 177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.08 -32.02 21.61 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.887 -0.508 . . . . 0.0 110.119 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.29 18.64 0.2 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.61 -13.71 61.85 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.203 1.401 . . . . 0.0 112.434 177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -138.47 -23.54 0.98 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -171.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.98 152.2 32.16 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.2 mmt -78.62 81.25 4.95 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -75.99 150.35 37.44 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 122.891 0.476 . . . . 0.0 110.221 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.54 142.06 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.306 1.042 . . . . 0.0 108.988 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -76.51 144.29 39.89 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 106.638 -1.615 . . . . 0.0 106.638 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -150.57 139.7 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -169.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.76 135.24 50.3 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 174.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -84.82 71.18 10.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.975 0.91 . . . . 0.0 109.921 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 31.6 pt -60.38 -9.78 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.97 -15.3 49.26 Favored Glycine 0 CA--C 1.532 1.111 0 CA-C-O 118.5 -1.166 . . . . 0.0 112.917 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -17.29 0.22 Allowed Glycine 0 CA--C 1.529 0.936 0 CA-C-N 119.254 1.527 . . . . 0.0 115.935 -169.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -137.64 -44.53 0.54 Allowed 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.596 1.698 . . . . 0.0 110.97 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.1 t70 59.06 -26.74 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 129.384 3.074 . . . . 0.0 115.495 -171.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -110.52 7.33 22.56 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.81 1.644 . . . . 0.0 111.811 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -134.73 162.07 33.38 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.768 0.827 . . . . 0.0 110.934 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.87 148.37 31.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.831 1.653 . . . . 0.0 109.848 -168.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -138.63 -170.44 2.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.689 2.395 . . . . 0.0 108.284 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.5 m -123.38 146.87 47.63 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 171.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.71 159.69 40.84 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.649 1.179 . . . . 0.0 110.042 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.2 mtmt -81.19 127.25 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 171.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.1 tp -58.88 -31.98 69.07 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.877 1.217 . . . . 0.0 109.992 171.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -51.93 -16.13 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 128.362 2.665 . . . . 0.0 114.517 171.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -124.21 13.85 8.99 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.452 1.101 . . . . 0.0 111.556 -173.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.08 156.14 24.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 C-N-CA 125.66 1.584 . . . . 0.0 109.349 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.0 119.23 28.14 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.77 140.59 38.23 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.9 mt -130.87 144.11 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 124.81 1.244 . . . . 0.0 108.426 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.1 t70 51.7 37.9 21.4 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.567 1.547 . . . . 0.0 113.27 171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 4.2 p -111.81 168.92 4.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 123.854 0.862 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.72 152.0 45.27 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.994 0.918 . . . . 0.0 110.446 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.7 -42.43 75.23 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.194 0.998 . . . . 0.0 112.023 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -73.26 -28.89 62.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.207 0.912 . . . . 0.0 111.008 -175.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 93.2 m -70.24 -50.55 38.64 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -44.78 90.58 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -64.07 -39.6 94.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.56 -0.733 . . . . 0.0 111.392 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.52 97.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.691 1.132 . . . . 0.0 110.602 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.37 -45.78 81.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.22 90.35 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.068 0.547 . . . . 0.0 110.069 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.55 -37.33 82.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.126 0.571 . . . . 0.0 111.882 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -59.43 -46.66 88.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.722 0.692 . . . . 0.0 110.266 170.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.7 mt -64.07 -40.78 97.02 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 122.14 -0.35 . . . . 0.0 110.256 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -63.61 -43.36 97.1 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.478 176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.7 t-105 -60.1 -41.68 93.07 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.275 0.943 . . . . 0.0 110.836 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.64 -43.36 93.88 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -71.39 -39.25 71.29 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.763 1.225 . . . . 0.0 112.555 177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -56.97 -32.34 65.96 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.552 1.541 . . . . 0.0 111.336 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.03 79.74 0.04 OUTLIER Glycine 0 C--N 1.334 0.46 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -55.97 135.49 52.4 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 117.419 0.609 . . . . 0.0 111.004 176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -134.92 -26.29 1.34 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.857 1.263 . . . . 0.0 111.282 169.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 4.5 p90 . . . . . 0 C--O 1.249 1.031 0 C-N-CA 128.583 2.753 . . . . 0.0 106.013 -176.226 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 118.99 -0.529 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.58 30.28 6.37 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.505 1.522 . . . . 0.0 113.222 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -77.46 41.48 0.32 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.937 2.095 . . . . 0.0 112.723 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.7 m -132.04 28.98 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 126.332 1.853 . . . . 0.0 109.751 -172.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -58.35 138.46 56.47 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 169.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.3 ttt85 -73.21 -56.66 4.79 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -165.92 149.2 7.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -56.52 -30.18 62.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.128 0.876 . . . . 0.0 111.698 -176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.1 m -54.76 -45.11 74.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.836 0.855 . . . . 0.0 111.051 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -64.77 -43.07 94.46 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 119.311 0.96 . . . . 0.0 109.563 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -66.18 -43.5 86.71 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -61.46 -50.27 73.44 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.907 -0.496 . . . . 0.0 110.638 173.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -65.56 -41.72 92.64 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.603 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.6 tt -62.9 -43.35 98.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 120.179 1.354 . . . . 0.0 108.933 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -60.49 -37.43 81.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.038 0.535 . . . . 0.0 111.569 177.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 p -100.97 -1.31 34.75 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -170.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -136.12 -19.49 1.5 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.603 1.092 . . . . 0.0 113.351 -176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.7 mt -120.73 -33.75 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.776 1.171 . . . . 0.0 111.582 -169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.67 13.18 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 118.956 0.798 . . . . 0.0 112.049 173.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 p -58.69 -35.54 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.7 0.8 . . . . 0.0 111.864 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.32 -0.51 25.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.207 1.403 . . . . 0.0 112.66 -175.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.5 150.95 49.91 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.958 1.303 . . . . 0.0 110.114 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -139.88 5.0 2.13 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.712 0.805 . . . . 0.0 112.372 -172.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -135.79 148.12 48.61 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 124.972 1.309 . . . . 0.0 108.023 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -52.52 -36.36 55.27 Favored 'General case' 0 CA--C 1.529 0.142 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.54 -43.09 73.7 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 119.435 1.016 . . . . 0.0 109.429 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -68.04 -38.93 83.09 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.38 0.672 . . . . 0.0 109.582 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.43 -29.33 64.76 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.795 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.2 91.7 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.969 0.804 . . . . 0.0 109.626 170.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.1 mmt -67.18 -38.01 84.66 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.67 -0.681 . . . . 0.0 111.593 175.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.91 -52.74 46.83 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 119.226 0.921 . . . . 0.0 111.295 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -53.34 -53.54 49.54 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.454 0.702 . . . . 0.0 110.972 171.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -54.49 -49.31 70.44 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.141 0.577 . . . . 0.0 111.223 -176.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -64.83 -50.88 64.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 118.49 0.586 . . . . 0.0 110.387 -171.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.18 76.7 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 119.341 -0.943 . . . . 0.0 110.182 -177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.23 -51.9 64.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.427 0.558 . . . . 0.0 109.896 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.24 -40.1 84.87 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 118.534 0.606 . . . . 0.0 111.016 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.41 -25.18 67.43 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 174.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.0 m -94.03 -36.55 12.08 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.89 0.876 . . . . 0.0 111.908 -175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -58.66 120.6 9.21 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.941 0.792 . . . . 0.0 109.105 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -81.92 49.22 1.33 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.918 1.287 . . . . 0.0 109.242 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -63.22 155.43 73.93 Favored Pre-proline 0 CA--C 1.545 0.769 0 C-N-CA 124.215 1.006 . . . . 0.0 111.423 -177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.76 156.14 92.92 Favored 'Cis proline' 0 CA--C 1.538 0.701 0 CA-C-N 119.384 0.816 . . . . 0.0 111.481 -9.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -145.24 -170.11 3.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.049 1.34 . . . . 0.0 109.106 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.6 ptm -133.65 167.88 19.69 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 119.24 0.927 . . . . 0.0 111.601 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.17 -178.32 38.86 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-O 121.904 0.724 . . . . 0.0 112.349 -176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.2 123.54 49.14 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 169.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -76.22 102.63 5.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 169.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -77.55 52.56 0.99 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.846 1.659 . . . . 0.0 109.453 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -54.2 115.34 2.01 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 123.63 0.772 . . . . 0.0 110.627 -169.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -69.72 124.52 24.19 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.8 m -64.44 139.29 58.75 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.068 0.547 . . . . 0.0 111.212 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 13.01 -91.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 130.029 3.332 . . . . 0.0 112.933 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -130.64 -0.24 4.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.277 1.431 . . . . 0.0 110.63 170.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 p -73.34 -23.42 60.23 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.355 1.462 . . . . 0.0 111.052 175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.7 m 65.28 0.49 1.34 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.933 2.093 . . . . 0.0 114.908 175.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -56.97 130.56 46.56 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.9 mt -81.37 138.48 19.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 122.111 0.958 . . . . 0.0 108.907 -177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -112.98 152.82 28.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 105.017 -2.216 . . . . 0.0 105.017 169.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -131.05 115.91 17.07 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 -169.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -129.42 126.48 38.87 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.0 m -71.94 134.24 45.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.1 m -141.03 155.63 21.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 123.328 0.651 . . . . 0.0 111.096 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -108.51 135.77 49.24 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 171.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.4 t -115.18 115.09 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 -169.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -82.66 -26.2 32.36 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 119.081 -0.485 . . . . 0.0 112.149 -169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.99 -178.79 31.48 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 108.2 -1.96 . . . . 0.0 108.2 -173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -63.46 149.7 45.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.644 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.13 169.65 9.5 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.52 139.39 17.68 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.55 2.167 . . . . 0.0 112.0 170.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -58.16 -28.29 64.6 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.196 0.599 . . . . 0.0 111.196 177.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.79 -32.87 69.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.752 1.221 . . . . 0.0 112.424 176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -87.12 -30.39 21.12 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.903 0.481 . . . . 0.0 110.236 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.33 20.67 0.39 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.155 0.982 . . . . 0.0 113.22 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.24 -8.62 55.83 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.526 1.531 . . . . 0.0 113.348 -173.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -149.44 -21.56 0.28 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -151.79 143.64 23.74 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 -173.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.97 128.6 33.87 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 118.685 0.675 . . . . 0.0 109.434 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -125.78 153.09 44.53 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 124.362 1.065 . . . . 0.0 109.35 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -135.36 144.86 32.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 124.227 1.011 . . . . 0.0 109.398 -176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.61 138.71 43.14 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 169.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.2 p -144.48 129.07 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -169.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.05 132.13 43.86 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -88.76 71.57 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.36 0.6 . . . . 0.0 110.69 -169.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.9 pt -60.84 -5.7 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.24 -10.21 49.05 Favored Glycine 0 CA--C 1.532 1.126 0 CA-C-O 118.292 -1.282 . . . . 0.0 112.765 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -150.57 -16.02 0.08 OUTLIER Glycine 0 CA--C 1.532 1.11 0 CA-C-N 119.532 1.666 . . . . 0.0 116.252 -170.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -138.34 -38.97 0.53 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.023 1.912 . . . . 0.0 111.631 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 t70 61.01 -24.45 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 129.25 3.02 . . . . 0.0 115.968 -176.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -120.18 12.23 11.78 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.95 1.7 . . . . 0.0 111.165 -173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -138.03 161.24 37.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.457 1.103 . . . . 0.0 110.628 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -136.75 149.67 26.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.572 1.549 . . . . 0.0 110.842 -168.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -142.09 -167.22 2.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.94 2.496 . . . . 0.0 108.047 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.8 m -123.15 147.69 46.54 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 170.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -132.82 155.57 48.73 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 124.447 1.099 . . . . 0.0 109.656 175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -74.8 125.65 29.23 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 104.76 -2.311 . . . . 0.0 104.76 171.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.01 -35.08 74.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.209 0.913 . . . . 0.0 109.403 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -52.24 -11.19 0.16 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 129.837 3.255 . . . . 0.0 114.52 170.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -128.14 13.05 6.68 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.438 1.095 . . . . 0.0 112.079 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.32 157.41 22.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 C-N-CA 125.95 1.7 . . . . 0.0 108.901 -178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -125.06 135.9 53.16 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -88.71 142.54 27.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 74.5 mt -129.82 143.23 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.998 1.319 . . . . 0.0 108.246 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 52.51 36.71 21.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.523 1.529 . . . . 0.0 113.162 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.483 HG21 HG21 ' A' ' 109' ' ' THR . 4.4 p -110.51 169.96 3.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.991 0.916 . . . . 0.0 110.421 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.39 150.94 47.46 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 123.453 0.701 . . . . 0.0 110.286 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.13 -41.93 76.11 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.086 0.954 . . . . 0.0 111.859 -176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -73.41 -28.29 61.92 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.247 0.931 . . . . 0.0 111.074 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.483 HG21 HG21 ' A' ' 105' ' ' VAL . 94.2 m -70.17 -50.23 42.36 Favored 'General case' 0 C--O 1.232 0.145 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -58.51 -45.63 88.39 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.21 -39.81 95.7 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 118.571 -0.728 . . . . 0.0 111.406 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.13 99.3 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.591 1.087 . . . . 0.0 110.536 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.26 -46.55 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.94 93.02 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.026 0.531 . . . . 0.0 110.409 177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.12 -37.32 85.44 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.541 0.736 . . . . 0.0 111.539 -178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -62.26 -46.58 88.15 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.695 0.68 . . . . 0.0 110.669 171.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.65 -42.41 99.58 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.999 -0.438 . . . . 0.0 110.124 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -62.46 -48.73 78.35 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 118.244 0.475 . . . . 0.0 109.848 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -52.58 -45.18 66.38 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.352 0.661 . . . . 0.0 110.948 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.72 -43.92 93.97 Favored 'General case' 0 CA--C 1.522 -0.116 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.33 -24.62 66.56 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 123.161 0.584 . . . . 0.0 112.459 -172.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -64.65 -24.3 67.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.502 1.046 . . . . 0.0 111.869 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 134.33 84.3 0.21 Allowed Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.553 -1.819 . . . . 0.0 108.553 -169.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -50.59 126.15 14.77 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.488 1.115 . . . . 0.0 110.806 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -143.22 -25.81 0.59 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.365 1.066 . . . . 0.0 112.398 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 29.6 p90 . . . . . 0 C--O 1.256 1.398 0 C-N-CA 127.233 2.213 . . . . 0.0 106.246 169.607 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.45 -10.96 59.79 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 54.87 31.31 15.48 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.95 1.3 . . . . 0.0 113.428 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.2 m -53.94 -33.16 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.039 1.335 . . . . 0.0 111.411 173.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -142.58 144.48 32.89 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 103.183 -2.895 . . . . 0.0 103.183 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -142.78 8.86 1.73 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -170.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -73.55 110.53 7.92 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 169.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.7 -20.32 47.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.153 0.981 . . . . 0.0 112.194 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 m -55.87 -37.98 69.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.091 0.86 . . . . 0.0 111.057 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -68.2 -42.28 80.11 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 119.778 1.172 . . . . 0.0 110.088 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.61 -42.86 95.26 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -59.51 -51.85 68.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.674 0.79 . . . . 0.0 110.34 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.02 -49.52 69.85 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.452 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.8 tt -60.13 -40.33 83.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 119.377 0.99 . . . . 0.0 110.095 -176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.3 tp10 -61.09 -41.97 97.64 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.851 0.86 . . . . 0.0 111.172 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.1 p -97.14 6.55 48.31 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 -169.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -131.94 -29.3 1.68 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 119.027 0.83 . . . . 0.0 112.898 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.6 mm -109.8 -32.53 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 119.366 0.985 . . . . 0.0 111.61 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 pt -132.62 22.2 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 124.09 0.956 . . . . 0.0 112.624 -167.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 m -55.88 -35.03 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 123.537 0.735 . . . . 0.0 112.306 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -91.9 2.97 56.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.714 1.206 . . . . 0.0 111.929 -172.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.05 141.41 50.73 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.517 1.127 . . . . 0.0 109.965 -169.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.65 6.93 2.51 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.995 0.918 . . . . 0.0 112.11 -173.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -136.03 147.58 47.99 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.119 1.368 . . . . 0.0 107.911 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -33.5 46.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -69.99 -44.12 70.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 119.527 1.058 . . . . 0.0 109.248 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -69.37 -38.26 77.97 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.163 0.585 . . . . 0.0 109.693 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -71.5 -28.95 64.27 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 118.108 -0.948 . . . . 0.0 111.509 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.88 95.46 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 119.183 0.901 . . . . 0.0 109.364 169.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -67.3 -39.93 86.0 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 118.804 0.729 . . . . 0.0 111.844 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.59 -52.4 50.58 Favored Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 175.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.0 m95 -53.69 -53.13 56.42 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.435 0.694 . . . . 0.0 110.671 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -55.99 -51.43 67.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.592 0.757 . . . . 0.0 111.292 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -70.64 -41.49 72.1 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.904 -169.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.12 80.37 Favored 'General case' 0 C--N 1.344 0.331 0 CA-C-N 119.89 1.223 . . . . 0.0 110.372 177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.72 -53.95 43.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.467 0.576 . . . . 0.0 109.569 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -59.25 -40.44 85.98 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 118.695 0.68 . . . . 0.0 111.207 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.53 -27.19 68.79 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 85.9 m -86.75 -38.26 17.09 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.651 0.78 . . . . 0.0 111.173 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.4 mt -56.96 121.73 10.64 Favored 'General case' 0 C--N 1.34 0.182 0 C-N-CA 123.52 0.728 . . . . 0.0 109.852 -175.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.67 52.11 0.97 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.587 1.955 . . . . 0.0 108.702 170.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -69.67 153.31 95.75 Favored Pre-proline 0 CA--C 1.543 0.691 0 O-C-N 121.015 -1.053 . . . . 0.0 110.913 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.47 152.83 94.44 Favored 'Cis proline' 0 CA--C 1.538 0.723 0 CA-C-N 119.34 0.8 . . . . 0.0 110.711 -10.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -140.88 -170.78 3.1 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 124.839 1.256 . . . . 0.0 108.627 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 ptm -131.73 166.02 22.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 119.508 1.049 . . . . 0.0 111.594 177.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -165.0 -178.01 37.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-O 121.872 0.707 . . . . 0.0 112.346 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -117.73 121.09 39.91 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 169.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.8 t90 -78.29 107.73 11.11 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 169.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -81.11 53.31 1.97 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.603 1.561 . . . . 0.0 108.473 178.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -59.29 133.26 55.94 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 123.608 0.763 . . . . 0.0 109.476 -169.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -79.13 50.51 1.06 Allowed 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.834 0.743 . . . . 0.0 111.354 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.1 m 44.31 -108.27 0.13 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.576 1.95 . . . . 0.0 111.345 -178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -127.15 40.74 3.65 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.814 1.246 . . . . 0.0 108.543 178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.8 mttp 56.55 50.22 13.29 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.004 1.322 . . . . 0.0 109.066 -169.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 p -122.89 32.98 5.54 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.99 1.716 . . . . 0.0 110.251 -170.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.4 m 53.01 31.52 11.21 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.237 1.415 . . . . 0.0 113.087 175.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.4 m -143.51 154.23 43.42 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.904 1.682 . . . . 0.0 106.492 -174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.7 mt -122.04 142.63 37.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -114.43 151.25 33.45 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.725 2.01 . . . . 0.0 105.732 171.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -126.91 89.36 2.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.776 -1.565 . . . . 0.0 106.776 -169.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -94.25 118.42 31.55 Favored 'General case' 0 N--CA 1.461 0.095 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.5 m -69.68 133.49 47.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.5 m -141.45 153.94 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 111.813 -171.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -104.54 133.15 49.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.0 t -109.6 111.37 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 -174.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -76.6 -27.39 55.76 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.065 0.546 . . . . 0.0 111.768 -169.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.41 179.37 29.64 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 107.712 -2.155 . . . . 0.0 107.712 -173.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.0 mtp -64.0 151.68 42.19 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.372 -0.487 . . . . 0.0 110.393 170.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.74 173.91 2.65 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 123.607 0.763 . . . . 0.0 109.15 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -51.32 144.19 31.59 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.133 1.889 . . . . 0.0 111.724 171.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -29.71 64.96 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.066 0.546 . . . . 0.0 111.062 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -63.67 -31.1 72.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.84 0.856 . . . . 0.0 112.41 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -75.81 -42.58 49.45 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 172.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.73 24.68 0.37 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 114.297 -169.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.03 -8.65 50.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.91 1.284 . . . . 0.0 111.984 173.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -138.57 -29.92 0.78 Allowed 'General case' 0 N--CA 1.462 0.146 0 C-N-CA 124.067 0.947 . . . . 0.0 112.963 -169.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -154.72 151.2 28.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -173.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 36.6 mmt -80.18 82.73 6.18 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -78.09 151.91 33.16 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 121.637 -0.665 . . . . 0.0 110.603 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.2 m -134.9 144.36 34.86 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 124.629 1.172 . . . . 0.0 109.042 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.03 139.34 40.02 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.749 -1.575 . . . . 0.0 106.749 169.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.6 p -145.36 139.26 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -169.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -116.25 137.55 52.04 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 124.624 1.17 . . . . 0.0 108.815 177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -86.32 68.78 10.34 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.503 1.121 . . . . 0.0 110.626 -171.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.5 pt -59.09 -16.84 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 O-C-N 121.696 -0.627 . . . . 0.0 112.412 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.72 -5.0 88.57 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.895 1.236 . . . . 0.0 113.133 174.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.42 -90.04 0.07 OUTLIER Glycine 0 C--N 1.338 0.686 0 CA-C-N 119.459 1.63 . . . . 0.0 111.525 -174.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.3 -38.51 77.21 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.051 0.926 . . . . 0.0 112.11 -173.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.4 t70 59.7 -24.51 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 130.357 3.463 . . . . 0.0 116.353 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.14 14.27 9.76 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.236 1.814 . . . . 0.0 110.806 -173.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -134.9 161.32 35.58 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.851 1.26 . . . . 0.0 110.08 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.5 p -139.51 151.25 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.776 1.23 . . . . 0.0 110.522 -168.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -142.97 -169.42 3.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.858 2.463 . . . . 0.0 108.264 -176.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.6 m -122.79 147.0 47.03 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 169.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 160.91 37.15 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 124.662 1.185 . . . . 0.0 109.865 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.48 ' HD2' ' H ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.82 126.68 31.29 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 171.193 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.39 -32.36 68.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.41 1.005 . . . . 0.0 109.095 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -52.79 -13.93 0.48 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 128.94 2.896 . . . . 0.0 114.331 172.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -127.34 12.83 7.07 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.619 1.168 . . . . 0.0 112.024 -176.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 mt -120.09 157.77 22.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 C-N-CA 126.209 1.804 . . . . 0.0 108.822 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -124.78 134.91 52.61 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 106.296 -1.742 . . . . 0.0 106.296 169.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.27 141.88 30.64 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.0 mt -128.12 140.39 49.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.854 1.262 . . . . 0.0 108.159 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 53.25 35.34 19.81 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.67 1.588 . . . . 0.0 113.474 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG21 HG21 ' A' ' 109' ' ' THR . 3.4 p -105.67 168.08 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 123.79 0.836 . . . . 0.0 110.392 177.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.61 156.76 34.21 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 123.512 0.725 . . . . 0.0 110.779 178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.6 -40.78 84.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.39 0.676 . . . . 0.0 112.539 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -69.61 -40.79 76.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 119.274 0.943 . . . . 0.0 110.486 -176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.501 HG21 HG21 ' A' ' 105' ' ' VAL . 61.6 m -60.76 -51.03 71.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.5 1.12 . . . . 0.0 109.963 173.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.17 -45.14 94.1 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 118.262 0.483 . . . . 0.0 109.781 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.75 -37.39 87.44 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.717 0.69 . . . . 0.0 111.548 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.49 -43.87 96.0 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.186 0.903 . . . . 0.0 110.117 177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.68 -47.24 83.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.69 0.796 . . . . 0.0 109.142 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.19 -44.37 92.22 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.419 0.687 . . . . 0.0 110.217 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.79 -32.65 72.53 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 118.13 -0.938 . . . . 0.0 112.039 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 54.1 t-105 -62.45 -46.53 88.1 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 120.031 1.287 . . . . 0.0 110.297 170.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.8 -46.16 89.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -62.44 -44.96 95.17 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.132 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -55.52 -40.89 72.4 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.955 1.252 . . . . 0.0 110.935 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.2 tp -60.46 -39.01 86.02 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.34 51.38 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.417 1.087 . . . . 0.0 113.162 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 87.7 mtm-85 -63.81 -32.82 74.45 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 120.79 -1.194 . . . . 0.0 110.536 171.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.57 113.57 0.52 Allowed Glycine 0 CA--C 1.519 0.33 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -75.7 60.57 1.29 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.006 1.322 . . . . 0.0 109.843 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -70.57 -32.91 70.49 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.176 -0.953 . . . . 0.0 110.399 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.1 p90 . . . . . 0 C--O 1.248 0.988 0 C-N-CA 127.963 2.505 . . . . 0.0 106.475 179.266 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.58 0.229 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.41 74.06 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.224 0.61 . . . . 0.0 112.231 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -64.67 134.01 53.36 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.055 0.542 . . . . 0.0 111.297 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 m -144.79 -0.6 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.505 1.922 . . . . 0.0 111.407 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.07 146.41 54.22 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 125.311 1.445 . . . . 0.0 109.714 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -144.17 -24.73 0.54 Allowed 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -175.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -158.05 142.63 16.23 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 119.338 0.972 . . . . 0.0 108.484 170.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -66.71 -21.61 66.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.257 1.023 . . . . 0.0 112.954 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 p -54.38 -38.98 66.77 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 119.12 0.873 . . . . 0.0 111.844 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -61.24 -46.91 88.46 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 123.175 0.59 . . . . 0.0 109.848 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -66.65 -43.4 84.71 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.006 0.522 . . . . 0.0 109.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -60.62 -49.74 76.32 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.158 0.583 . . . . 0.0 110.751 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.65 -46.78 77.9 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 121.604 -0.685 . . . . 0.0 110.56 -173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 tt -62.47 -43.21 98.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.84 -37.3 86.27 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.714 0.806 . . . . 0.0 111.814 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 p -97.13 -6.99 33.69 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -171.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -135.06 -20.94 1.66 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.759 1.163 . . . . 0.0 114.042 -174.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -115.18 -33.88 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 120.173 1.351 . . . . 0.0 111.723 -169.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.41 17.58 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 119.545 1.066 . . . . 0.0 112.113 173.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.32 -39.08 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.71 0.804 . . . . 0.0 112.352 -175.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -81.6 -14.38 56.84 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.217 1.007 . . . . 0.0 112.478 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.32 162.9 28.01 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.471 0.709 . . . . 0.0 111.997 -173.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.04 -30.7 0.79 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.616 1.166 . . . . 0.0 111.187 178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.27 155.37 42.02 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.246 1.418 . . . . 0.0 108.813 -176.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -28.35 55.25 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 117.878 -1.058 . . . . 0.0 113.736 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.8 -41.81 86.99 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 120.091 1.314 . . . . 0.0 108.971 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -68.44 -37.76 80.54 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.307 0.643 . . . . 0.0 109.944 178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.5 mtt85 -66.06 -39.15 89.87 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.551 -0.718 . . . . 0.0 110.768 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.6 94.3 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 119.141 -0.456 . . . . 0.0 109.783 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.6 mmt -63.35 -42.11 98.89 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 118.511 -0.757 . . . . 0.0 111.627 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.08 -52.22 50.6 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.299 0.954 . . . . 0.0 111.434 177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -52.67 -54.73 29.41 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.523 0.729 . . . . 0.0 110.599 171.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -56.28 -46.06 79.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.41 -176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -61.98 -52.71 62.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.908 0.776 . . . . 0.0 110.005 -173.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.3 -37.39 74.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.136 -1.026 . . . . 0.0 110.206 -177.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.02 -51.7 55.95 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.24 0.616 . . . . 0.0 110.144 -175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.4 -39.13 89.59 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.424 0.69 . . . . 0.0 110.924 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -65.95 -27.63 68.31 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.5 m -83.06 -43.6 16.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.402 0.681 . . . . 0.0 110.87 -179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -54.97 119.61 5.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.587 1.155 . . . . 0.0 110.104 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -78.49 41.79 0.41 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.75 0.82 . . . . 0.0 111.268 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -58.4 154.21 34.17 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 124.032 0.933 . . . . 0.0 112.012 -173.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -70.0 157.94 92.22 Favored 'Cis proline' 0 CA--C 1.537 0.663 0 CA-C-N 119.562 0.879 . . . . 0.0 111.85 -6.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -147.79 -165.92 2.39 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.579 1.552 . . . . 0.0 108.132 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.2 ptm -134.42 170.46 15.71 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 119.302 0.956 . . . . 0.0 112.31 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.15 -177.63 38.94 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-O 122.134 0.852 . . . . 0.0 111.708 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -117.15 118.64 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.32 109.2 11.02 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 104.418 -2.438 . . . . 0.0 104.418 169.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -81.17 47.89 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.75 1.62 . . . . 0.0 108.472 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -54.09 116.7 2.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 123.896 0.878 . . . . 0.0 111.475 -168.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.9 120.43 11.92 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 p -108.7 -18.91 13.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -168.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -147.15 159.31 43.77 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 119.699 1.136 . . . . 0.0 109.006 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.73 -19.66 62.66 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.975 0.91 . . . . 0.0 112.51 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 p -66.52 3.48 0.96 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.071 1.748 . . . . 0.0 113.126 169.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.5 m 61.0 25.04 15.11 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.664 1.586 . . . . 0.0 112.016 -173.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.8 m -62.64 153.93 30.76 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 169.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mt -128.94 140.89 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 123.335 0.654 . . . . 0.0 109.289 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -106.82 106.85 17.57 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 103.863 -2.643 . . . . 0.0 103.863 169.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -82.32 94.79 7.43 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -97.93 118.09 33.71 Favored 'General case' 0 N--CA 1.461 0.119 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 m -69.11 132.39 46.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.81 146.88 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.253 0.621 . . . . 0.0 110.916 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.74 132.62 40.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 103.583 -2.747 . . . . 0.0 103.583 168.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 t -107.9 107.74 23.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.19 -30.59 63.64 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.26 0.624 . . . . 0.0 111.009 -169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.54 -178.07 33.2 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 107.975 -2.05 . . . . 0.0 107.975 -173.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -63.97 154.36 34.32 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.347 0.594 . . . . 0.0 110.197 171.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.57 174.32 2.27 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.329 1.452 . . . . 0.0 111.566 175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.61 153.35 1.27 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.62 2.88 . . . . 0.0 113.715 169.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.47 -39.82 61.6 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 124.663 1.185 . . . . 0.0 110.74 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -71.49 -31.85 67.59 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 124.039 0.936 . . . . 0.0 111.816 -175.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -73.48 -44.52 57.77 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.5 m -70.82 1.14 5.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.874 0.87 . . . . 0.0 113.027 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tp -83.65 -9.04 59.15 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 126.055 1.742 . . . . 0.0 111.983 -175.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.34 -24.96 0.95 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -157.47 156.79 32.71 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.205 1.402 . . . . 0.0 107.424 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.0 mmt -82.98 121.8 27.47 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 119.459 1.027 . . . . 0.0 109.185 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -130.08 155.16 46.63 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.2 1.0 . . . . 0.0 109.397 -178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.41 144.82 31.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 124.476 1.11 . . . . 0.0 108.83 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.24 137.96 35.8 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.0 m -142.54 138.81 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.405 0.682 . . . . 0.0 110.481 -170.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.02 135.5 48.47 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -81.45 65.89 6.78 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 124.37 1.068 . . . . 0.0 110.477 -173.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 pt -58.77 -14.29 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 O-C-N 121.378 -0.826 . . . . 0.0 112.801 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.84 -10.77 64.47 Favored Glycine 0 CA--C 1.533 1.198 0 CA-C-O 118.234 -1.314 . . . . 0.0 113.202 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -145.56 -25.78 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 CA-C-N 119.555 1.677 . . . . 0.0 115.904 -169.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -139.45 -40.2 0.46 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.626 1.713 . . . . 0.0 111.607 -175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.4 t70 60.21 -32.89 0.07 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 129.683 3.193 . . . . 0.0 115.402 -174.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -93.83 2.39 56.21 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.518 1.527 . . . . 0.0 113.203 -169.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -138.2 163.43 31.75 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.238 -0.914 . . . . 0.0 110.407 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.79 151.35 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 125.553 1.541 . . . . 0.0 109.988 -169.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -144.25 -173.53 4.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.642 2.377 . . . . 0.0 107.6 -172.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.9 m -123.47 147.82 46.8 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.89 150.17 49.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.976 1.311 . . . . 0.0 109.133 176.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 132.62 43.84 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 170.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.24 -30.16 69.23 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.2 m -53.57 -20.82 5.54 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.804 2.041 . . . . 0.0 114.055 173.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -114.52 14.72 17.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.792 0.724 . . . . 0.0 111.738 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 mt -121.65 153.99 25.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 C-N-CA 124.81 1.244 . . . . 0.0 109.781 -177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -125.06 119.12 27.75 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 105.539 -2.022 . . . . 0.0 105.539 175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.7 139.12 38.53 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 -176.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 97.5 mt -131.58 147.07 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 124.762 1.225 . . . . 0.0 108.114 -177.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.96 39.98 24.14 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.332 1.453 . . . . 0.0 112.779 173.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.473 HG21 HG21 ' A' ' 109' ' ' THR . 3.7 p -118.46 166.44 12.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.232 1.013 . . . . 0.0 109.685 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.64 151.22 47.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 122.957 0.503 . . . . 0.0 110.113 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.67 -40.4 69.03 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.144 0.978 . . . . 0.0 111.871 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -73.36 -30.05 63.06 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 119.028 0.831 . . . . 0.0 111.24 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 105' ' ' VAL . 65.7 m -70.14 -48.87 55.59 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 172.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.6 -46.47 86.92 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.33 -35.96 82.58 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.505 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.76 -41.36 87.89 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.571 1.078 . . . . 0.0 110.489 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.9 mt -67.94 -42.78 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.23 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.502 0.592 . . . . 0.0 110.542 175.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.27 -37.0 77.68 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 119.126 -0.464 . . . . 0.0 111.649 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 62.0 t-105 -60.87 -45.09 95.91 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.737 0.699 . . . . 0.0 109.955 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.2 mt -62.27 -41.27 98.33 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.389 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.45 -47.47 83.88 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.04 0.836 . . . . 0.0 110.44 175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 17.6 t-105 -56.73 -44.82 82.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 118.439 0.563 . . . . 0.0 111.17 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.74 -42.55 77.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.24 -41.73 97.38 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.035 0.934 . . . . 0.0 111.672 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -60.23 -32.3 71.0 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 123.494 0.718 . . . . 0.0 110.458 173.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 147.69 135.45 2.64 Favored Glycine 0 CA--C 1.521 0.462 0 C-N-CA 124.044 0.831 . . . . 0.0 111.443 169.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -68.11 104.61 1.83 Allowed 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 168.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -139.66 -2.98 1.51 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -170.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 . . . . . 0 C--O 1.246 0.896 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 169.027 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.277 0 CA-C-O 120.516 0.198 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.91 139.27 56.45 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -134.91 7.35 3.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.886 0.874 . . . . 0.0 112.547 -175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 m -54.95 106.67 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 125.669 1.588 . . . . 0.0 109.854 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 51.92 31.82 9.06 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.389 1.876 . . . . 0.0 112.577 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttt180 -77.22 73.27 3.79 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.116 1.366 . . . . 0.0 109.334 179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -144.98 142.55 29.91 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.304 1.442 . . . . 0.0 108.228 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.34 -28.57 68.27 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.953 0.901 . . . . 0.0 113.217 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.02 -45.45 94.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 119.153 0.888 . . . . 0.0 109.151 177.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -69.71 -37.57 76.61 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.718 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -50.21 73.96 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 118.613 0.642 . . . . 0.0 110.309 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -65.87 -48.34 71.89 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 122.547 0.339 . . . . 0.0 110.501 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -63.56 -48.95 75.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.624 0.647 . . . . 0.0 111.496 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.1 tt -61.02 -41.65 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -61.52 -54.13 47.31 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -73.95 -1.59 20.4 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -117.63 -24.87 7.09 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.001 -0.999 . . . . 0.0 112.874 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.7 mt -122.08 -32.81 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 CA-C-N 120.097 1.317 . . . . 0.0 112.318 -169.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.46 41.39 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-O 122.325 1.06 . . . . 0.0 110.375 -175.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 t -53.05 -45.14 52.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 127.564 2.346 . . . . 0.0 112.581 -169.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -129.48 -18.66 3.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 112.089 -169.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.83 139.32 58.76 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 169.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -136.63 4.59 2.85 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -170.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.14 147.08 52.57 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.086 1.354 . . . . 0.0 107.815 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -33.81 31.35 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -176.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.86 -45.73 56.71 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 120.057 1.299 . . . . 0.0 109.435 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.92 -37.4 85.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.018 0.527 . . . . 0.0 109.89 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -72.51 -32.24 65.98 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.281 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.42 97.59 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 119.086 0.857 . . . . 0.0 109.264 170.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.3 mmt -62.91 -43.4 98.9 Favored 'General case' 0 C--O 1.225 -0.196 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.504 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.27 -52.15 51.47 Favored Glycine 0 CA--C 1.533 1.176 0 CA-C-N 119.657 1.117 . . . . 0.0 111.494 177.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.8 m95 -56.87 -48.27 78.52 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.019 0.528 . . . . 0.0 110.949 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -57.67 -46.42 84.28 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.046 0.538 . . . . 0.0 111.097 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -61.32 -52.77 63.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 118.597 0.635 . . . . 0.0 110.249 -172.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -37.72 77.43 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.006 -178.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.0 tp -66.08 -51.0 62.14 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.659 0.663 . . . . 0.0 110.037 -173.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.02 -37.35 82.26 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.412 0.551 . . . . 0.0 110.933 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.41 -25.18 65.81 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.4 m -94.41 -33.36 13.17 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.703 0.801 . . . . 0.0 111.538 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.71 117.77 5.77 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -83.4 53.21 2.43 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.715 0.806 . . . . 0.0 109.023 175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -60.73 157.64 37.33 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 124.784 1.234 . . . . 0.0 111.83 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.19 155.24 91.77 Favored 'Cis proline' 0 C--N 1.349 0.602 0 CA-C-N 119.341 0.8 . . . . 0.0 111.501 -8.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.91 -168.74 2.85 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.111 1.364 . . . . 0.0 108.615 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.0 ptm -136.09 168.89 18.53 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 119.428 1.013 . . . . 0.0 111.943 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.68 -177.32 39.01 Favored Glycine 0 N--CA 1.443 -0.862 0 CA-C-O 122.127 0.849 . . . . 0.0 111.484 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -116.48 121.47 41.93 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 169.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -75.59 107.27 7.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 169.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.51 52.86 2.17 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.759 1.623 . . . . 0.0 107.586 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -52.14 117.83 3.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.367 1.467 . . . . 0.0 109.932 -168.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -68.03 169.22 10.46 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.415 0.626 . . . . 0.0 110.065 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 m -43.1 145.57 0.5 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 128.134 2.573 . . . . 0.0 114.597 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -80.11 -60.98 2.13 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 123.991 0.916 . . . . 0.0 108.593 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -154.56 47.71 0.58 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.11 2.564 . . . . 0.0 104.475 170.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 p -136.65 -160.83 1.09 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.448 2.299 . . . . 0.0 108.574 -168.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.3 m -138.9 51.26 1.81 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.752 1.221 . . . . 0.0 108.048 171.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.8 m -144.76 121.12 10.94 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.835 0.854 . . . . 0.0 109.127 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 24.1 mt -72.8 146.61 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 169.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -116.52 155.5 28.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 126.073 1.749 . . . . 0.0 106.397 169.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -130.12 106.1 8.38 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -113.0 119.09 36.7 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.2 m -69.06 132.01 45.94 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.09 145.99 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.17 0.588 . . . . 0.0 110.822 -174.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -96.8 130.7 44.02 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 168.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.25 114.25 44.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 -173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.96 -29.12 35.41 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.013 0.525 . . . . 0.0 111.68 -169.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.38 178.34 30.42 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 23.9 mtp -67.77 152.05 46.21 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.288 -0.537 . . . . 0.0 110.799 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 168.75 20.13 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 124.483 1.113 . . . . 0.0 111.557 -179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -52.08 156.67 7.16 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.682 2.922 . . . . 0.0 114.683 174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -46.1 -37.3 6.69 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 126.585 1.954 . . . . 0.0 111.923 170.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.52 -19.54 57.36 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.205 1.002 . . . . 0.0 113.427 -175.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -122.38 -34.09 3.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.171 0.988 . . . . 0.0 110.465 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 84.3 m -67.63 -1.48 5.23 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 175.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.36 -9.8 58.88 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.423 1.489 . . . . 0.0 112.354 171.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -133.32 -28.2 1.51 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.774 1.17 . . . . 0.0 113.615 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -154.32 154.99 34.3 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 119.574 1.079 . . . . 0.0 109.66 -176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.1 mmt -80.29 78.16 6.99 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.956 0.902 . . . . 0.0 108.905 -174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -82.39 153.68 25.6 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.309 0.643 . . . . 0.0 110.163 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.01 145.96 30.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 124.898 1.279 . . . . 0.0 108.695 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.69 140.02 34.58 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.72 143.88 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.385 0.674 . . . . 0.0 110.394 -172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.37 53.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -81.72 65.81 7.02 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.459 1.104 . . . . 0.0 111.104 -171.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 pt -58.69 -17.76 11.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 O-C-N 121.546 -0.721 . . . . 0.0 112.515 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.37 -4.18 88.12 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.908 1.242 . . . . 0.0 113.046 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.99 -96.69 0.13 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 119.185 1.493 . . . . 0.0 111.14 -174.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -60.93 -34.98 75.55 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 117.632 0.716 . . . . 0.0 112.611 -170.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.23 -26.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 130.362 3.465 . . . . 0.0 116.661 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.24 10.77 16.05 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.815 1.646 . . . . 0.0 111.385 -170.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.54 164.48 28.62 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 124.321 1.048 . . . . 0.0 109.834 177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.3 p -135.39 148.14 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.409 1.484 . . . . 0.0 109.648 -169.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -143.9 -170.64 3.37 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.589 2.356 . . . . 0.0 107.849 -172.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.1 m -125.84 147.48 49.43 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -138.09 158.99 43.21 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.08 1.352 . . . . 0.0 109.706 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -80.71 126.27 31.08 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.65 -34.49 71.26 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.506 1.048 . . . . 0.0 109.752 171.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.9 m -52.63 -16.99 1.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.03 2.532 . . . . 0.0 114.346 172.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -122.79 12.95 9.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.488 1.115 . . . . 0.0 111.153 -173.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.52 154.18 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 125.677 1.591 . . . . 0.0 109.34 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -119.32 118.25 30.73 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 172.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.48 139.55 38.68 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.3 mt -130.24 139.8 50.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.737 1.215 . . . . 0.0 107.909 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.9 t70 58.23 21.11 7.79 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.711 1.604 . . . . 0.0 113.79 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -75.67 163.73 3.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.269 1.028 . . . . 0.0 111.962 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -71.45 157.31 38.27 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.485 169.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.69 -43.91 80.98 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.586 0.754 . . . . 0.0 112.059 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.38 -29.03 62.35 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 119.27 0.941 . . . . 0.0 110.766 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.9 m -68.07 -50.86 52.48 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.92 -46.65 84.69 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-N 118.593 0.633 . . . . 0.0 110.07 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.4 -37.05 85.79 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.065 0.546 . . . . 0.0 111.104 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.49 -43.0 86.58 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.025 0.83 . . . . 0.0 110.493 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 95.4 mt -64.61 -46.57 92.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 178.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.34 91.91 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.306 0.643 . . . . 0.0 110.444 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -66.86 -37.32 84.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-O 119.279 -0.391 . . . . 0.0 111.771 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -61.56 -46.13 91.2 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.446 0.567 . . . . 0.0 110.502 170.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.94 -44.1 97.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.043 0.383 . . . . 0.0 109.988 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.58 -42.18 98.33 Favored 'General case' 0 CA--C 1.528 0.097 0 C-N-CA 123.15 0.58 . . . . 0.0 110.789 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -59.84 -45.76 91.39 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-N 118.947 0.794 . . . . 0.0 110.578 174.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.29 -37.97 86.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.842 0.747 . . . . 0.0 109.783 -176.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.16 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.941 0.896 . . . . 0.0 112.039 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -59.35 -35.01 73.07 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.11 0.964 . . . . 0.0 110.058 171.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.96 146.08 4.35 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.683 1.135 . . . . 0.0 111.718 169.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -73.71 77.28 1.55 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -133.09 49.32 2.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.826 1.251 . . . . 0.0 109.605 -169.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 117.894 -1.051 . . . . 0.0 109.125 169.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.5 ttm . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.36 4.06 25.45 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -67.35 -14.49 62.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.544 1.138 . . . . 0.0 113.661 -178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.1 m -83.12 -175.49 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 C-N-CA 124.472 1.109 . . . . 0.0 108.113 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -68.89 126.86 31.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 123.52 13.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -157.42 150.98 23.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 -175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -56.22 -30.86 62.91 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 112.072 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 m -64.38 -46.1 84.82 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.302 0.955 . . . . 0.0 110.092 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -62.48 -48.66 78.63 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.21 -53.78 47.86 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.96 0.904 . . . . 0.0 111.511 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -65.03 -47.88 75.85 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.565 0.621 . . . . 0.0 110.331 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.8 mmm-85 -63.05 -42.93 99.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 118.471 0.578 . . . . 0.0 110.75 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.42 -41.72 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 118.932 0.787 . . . . 0.0 109.72 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -63.18 -38.05 89.64 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.317 0.647 . . . . 0.0 111.55 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.0 p -95.48 -8.16 36.1 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.422 -0.799 . . . . 0.0 113.138 -169.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -136.87 -17.57 1.42 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -116.69 -34.79 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 120.115 1.325 . . . . 0.0 111.806 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.34 18.49 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 119.445 1.02 . . . . 0.0 111.691 171.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.64 -36.59 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.721 0.808 . . . . 0.0 111.75 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.89 2.76 48.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.166 1.386 . . . . 0.0 112.349 -175.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.87 151.36 41.8 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 124.405 1.082 . . . . 0.0 111.501 -169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -143.47 -29.49 0.52 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.1 0.96 . . . . 0.0 111.944 169.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.09 149.09 26.45 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.258 0.936 . . . . 0.0 109.935 173.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -52.04 -38.64 57.71 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -178.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.64 -40.98 80.02 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 119.201 0.91 . . . . 0.0 109.273 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -64.43 -39.17 93.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.984 0.514 . . . . 0.0 109.831 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -64.8 -41.42 95.82 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.081 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.64 98.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.329 0.513 . . . . 0.0 109.731 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.4 mmt -63.93 -41.47 97.63 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.926 176.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.9 -51.83 55.87 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.387 0.994 . . . . 0.0 111.217 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -54.26 -51.59 64.08 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.152 0.581 . . . . 0.0 110.677 172.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -56.75 -46.85 81.15 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 118.585 0.63 . . . . 0.0 111.588 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -61.46 -51.99 66.39 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.75 0.704 . . . . 0.0 110.028 -172.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.27 -37.86 74.95 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 119.224 -0.99 . . . . 0.0 110.136 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.81 -52.02 62.11 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.748 0.704 . . . . 0.0 110.019 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.08 -38.06 81.78 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.309 0.644 . . . . 0.0 111.079 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -68.91 -25.49 64.61 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -93.51 -37.25 12.02 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.864 0.865 . . . . 0.0 111.491 -174.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.36 116.27 3.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -81.82 51.8 1.8 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.647 0.737 . . . . 0.0 109.048 172.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -62.43 156.7 60.57 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 124.516 1.126 . . . . 0.0 111.587 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.91 154.62 90.99 Favored 'Cis proline' 0 CA--C 1.537 0.649 0 CA-C-N 119.322 0.793 . . . . 0.0 111.31 -9.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -144.24 -170.46 3.36 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.013 1.325 . . . . 0.0 108.427 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptm -131.37 167.15 19.77 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 119.387 0.994 . . . . 0.0 112.041 178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.55 -175.34 36.7 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-O 122.198 0.888 . . . . 0.0 111.446 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -116.35 119.65 36.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 105.982 -1.859 . . . . 0.0 105.982 169.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.18 110.09 11.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -81.64 52.87 1.99 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.407 1.483 . . . . 0.0 107.633 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -55.71 125.66 22.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.217 0.607 . . . . 0.0 109.755 -169.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -78.36 60.82 2.66 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.599 0.759 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 p 29.99 -96.0 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.066 2.946 . . . . 0.0 113.922 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.56 46.92 2.43 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.242 1.817 . . . . 0.0 108.678 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.3 tttm 71.22 -10.97 0.73 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 127.988 2.515 . . . . 0.0 113.14 -175.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 p -57.88 170.79 0.57 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.812 1.645 . . . . 0.0 111.784 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -63.73 -23.15 67.25 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.143 0.977 . . . . 0.0 112.569 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 149.91 44.11 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.239 1.015 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.5 mt -128.46 139.77 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -111.78 101.22 9.59 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 104.462 -2.421 . . . . 0.0 104.462 176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.64 105.53 12.86 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -107.03 124.8 50.16 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.4 m -70.23 132.1 45.22 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 173.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.0 152.55 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-O 121.122 0.487 . . . . 0.0 111.346 -172.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -100.54 132.67 45.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 169.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 t -105.43 112.15 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.55 -30.43 46.88 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.609 0.764 . . . . 0.0 111.866 -169.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.58 -178.97 31.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.991 -2.044 . . . . 0.0 107.991 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.9 mmm -64.68 153.2 40.31 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.413 0.625 . . . . 0.0 110.645 173.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.11 173.48 2.62 Favored Pre-proline 0 CA--C 1.545 0.765 0 C-N-CA 125.448 1.499 . . . . 0.0 111.139 171.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -48.25 152.7 3.45 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 123.475 2.784 . . . . 0.0 113.734 170.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.49 -34.87 64.96 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.687 1.195 . . . . 0.0 111.39 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -65.48 -33.2 75.37 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 123.517 0.727 . . . . 0.0 111.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.99 -45.11 28.5 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 65.9 m -69.94 -2.94 13.91 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -175.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.96 -11.1 59.82 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.392 1.477 . . . . 0.0 112.366 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.1 -24.14 1.68 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -157.68 155.65 30.35 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 119.407 1.003 . . . . 0.0 108.664 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 39.4 mmt -80.62 112.87 18.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -123.84 152.29 42.47 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 124.273 1.029 . . . . 0.0 109.02 -176.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.9 m -135.73 144.75 32.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 C-N-CA 124.46 1.104 . . . . 0.0 109.291 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.59 140.23 42.53 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 169.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.8 141.29 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -169.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -119.15 137.53 53.54 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.329 1.052 . . . . 0.0 108.753 177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.72 64.95 8.78 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.255 1.022 . . . . 0.0 111.17 -169.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.0 pt -56.84 -21.47 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.391 0.677 . . . . 0.0 112.745 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.68 -3.69 88.02 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.929 1.252 . . . . 0.0 113.238 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.06 -92.64 0.1 Allowed Glycine 0 C--N 1.338 0.652 0 CA-C-N 119.202 1.501 . . . . 0.0 111.063 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -59.39 -39.17 82.49 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 117.956 0.878 . . . . 0.0 112.122 -173.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.2 t70 58.9 -26.11 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 130.32 3.448 . . . . 0.0 116.397 -177.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -115.17 9.34 15.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.728 1.611 . . . . 0.0 111.428 -171.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -135.33 162.86 31.38 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.844 0.858 . . . . 0.0 110.789 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.0 t -135.15 149.0 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 125.534 1.534 . . . . 0.0 108.656 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -140.99 -170.09 2.97 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 127.57 2.348 . . . . 0.0 108.239 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -123.04 146.5 47.61 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.39 152.46 51.92 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 124.599 1.16 . . . . 0.0 109.424 175.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 129.75 38.23 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 169.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.66 -30.22 68.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.164 177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -50.17 -20.42 1.01 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.334 2.654 . . . . 0.0 114.543 170.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -119.16 13.33 12.87 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.598 0.759 . . . . 0.0 111.989 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.8 mt -118.04 154.64 20.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 125.312 1.445 . . . . 0.0 109.394 -178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -125.92 118.39 25.32 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.23 140.71 37.58 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 84.7 mt -131.04 144.79 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 124.624 1.17 . . . . 0.0 108.63 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 51.66 39.83 26.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.454 1.502 . . . . 0.0 112.849 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 109' ' ' THR . 2.4 p -117.98 165.21 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 123.826 0.85 . . . . 0.0 110.658 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -66.81 152.84 44.78 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 123.918 0.887 . . . . 0.0 110.79 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -52.82 -40.39 63.26 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.966 1.307 . . . . 0.0 112.36 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -73.1 -34.63 66.29 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.666 1.121 . . . . 0.0 111.029 -176.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.494 HG21 HG21 ' A' ' 105' ' ' VAL . 99.9 m -67.97 -49.61 60.69 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.17 -43.18 96.01 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.167 0.587 . . . . 0.0 110.086 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.88 -42.47 89.59 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 124.415 1.086 . . . . 0.0 111.566 178.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.9 -43.71 91.98 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.179 0.445 . . . . 0.0 110.07 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 86.4 mt -68.95 -45.4 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.47 -47.69 83.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.668 0.787 . . . . 0.0 109.865 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.86 -22.85 59.6 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.114 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -64.3 -47.77 78.2 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 120.153 1.342 . . . . 0.0 109.282 169.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.3 mt -62.21 -44.19 97.14 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.5 m-30 -59.26 -53.86 53.41 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 117.922 -1.037 . . . . 0.0 109.234 175.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -48.82 -42.1 35.0 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.084 1.354 . . . . 0.0 112.353 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.2 mt -60.8 -50.99 71.21 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.95 -37.16 72.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.427 -176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -60.74 -30.02 69.74 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 128.009 2.523 . . . . 0.0 111.203 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 142.35 78.49 0.05 OUTLIER Glycine 0 C--N 1.338 0.651 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -55.16 106.51 0.23 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.283 1.033 . . . . 0.0 110.406 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.79 -54.22 4.83 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 118.867 -0.587 . . . . 0.0 112.041 -173.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 10.6 p90 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.091 -0.957 . . . . 0.0 110.599 -172.895 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.95 -30.03 71.14 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 121.035 -1.04 . . . . 0.0 111.927 176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -55.56 -13.17 1.43 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.699 2.0 . . . . 0.0 115.708 -173.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.31 -38.38 80.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 119.521 1.055 . . . . 0.0 110.819 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -155.37 59.89 0.63 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.836 1.254 . . . . 0.0 108.958 -169.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -67.24 -23.01 65.66 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.146 -0.971 . . . . 0.0 111.973 173.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.9 130.37 46.44 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.11 -12.53 61.55 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -55.73 -48.22 75.58 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 120.049 1.295 . . . . 0.0 110.89 -175.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -64.72 -34.87 79.34 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 120.64 1.564 . . . . 0.0 112.058 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -67.05 -45.94 75.88 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 118.664 0.666 . . . . 0.0 110.095 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -60.87 -47.27 87.13 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.472 0.709 . . . . 0.0 110.274 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -70.48 -45.61 65.37 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 117.805 -1.093 . . . . 0.0 110.337 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 tt -59.82 -41.66 86.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 119.918 1.235 . . . . 0.0 109.754 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -63.3 -29.99 71.21 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.275 1.03 . . . . 0.0 112.275 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.9 p -107.8 -2.02 20.35 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -173.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.57 -21.49 2.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.307 0.958 . . . . 0.0 113.442 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -126.9 -63.92 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 119.949 1.25 . . . . 0.0 110.11 -175.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.8 pt -91.85 22.98 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 119.306 0.957 . . . . 0.0 111.576 -170.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 t -55.9 -38.29 51.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 125.712 1.605 . . . . 0.0 112.039 -170.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.78 2.4 46.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.243 1.017 . . . . 0.0 111.787 -174.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.11 140.48 39.87 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.221 1.008 . . . . 0.0 109.85 -171.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -133.76 -0.46 3.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.881 0.873 . . . . 0.0 112.189 -175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -138.93 151.81 47.21 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.896 1.278 . . . . 0.0 108.671 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -33.41 61.52 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -174.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -69.53 -42.14 75.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.489 1.04 . . . . 0.0 108.968 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -67.79 -36.41 80.4 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.735 -0.603 . . . . 0.0 110.065 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -64.58 -39.86 94.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.392 173.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.67 96.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.048 0.84 . . . . 0.0 109.887 176.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 22.1 mmt -64.98 -40.19 94.6 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.818 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.16 -50.56 66.36 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -53.85 -54.02 44.31 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.501 0.72 . . . . 0.0 110.666 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -57.45 -47.22 82.4 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.157 0.583 . . . . 0.0 110.533 -176.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -58.41 -55.59 33.03 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 123.804 0.842 . . . . 0.0 110.366 -172.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -36.34 69.82 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.854 -0.739 . . . . 0.0 110.151 -176.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.44 -51.24 64.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 118.823 -0.608 . . . . 0.0 109.788 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -60.62 -38.06 83.5 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 118.914 0.779 . . . . 0.0 111.039 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.31 -24.25 66.51 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.2 m -95.32 -35.46 11.77 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.173 0.989 . . . . 0.0 111.822 -175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.0 mt -58.93 121.17 10.51 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -81.33 48.76 1.19 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.996 1.318 . . . . 0.0 109.403 175.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -64.35 154.72 82.66 Favored Pre-proline 0 CA--C 1.544 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 111.583 -176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -69.58 152.57 92.0 Favored 'Cis proline' 0 CA--C 1.538 0.709 0 CA-C-N 119.235 0.763 . . . . 0.0 111.009 -9.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.3 -171.62 3.43 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.11 1.364 . . . . 0.0 108.619 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptm -130.17 167.92 17.62 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 119.563 1.074 . . . . 0.0 111.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.97 -176.54 38.02 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-O 121.932 0.74 . . . . 0.0 111.711 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -118.45 119.71 35.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.487 -1.671 . . . . 0.0 106.487 169.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -77.01 109.28 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 169.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -80.04 52.51 1.54 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.11 1.364 . . . . 0.0 109.469 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -56.66 124.78 19.55 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.057 0.943 . . . . 0.0 109.903 -169.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -91.56 -18.6 23.84 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.277 0.631 . . . . 0.0 111.19 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 m -63.62 114.83 4.2 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.592 1.157 . . . . 0.0 109.552 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ttp180 -160.7 -175.2 4.83 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.964 1.705 . . . . 0.0 106.803 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -63.43 -12.76 33.66 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 111.584 169.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 p -137.37 173.52 11.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.961 2.505 . . . . 0.0 107.223 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 -1.79 16.38 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.033 -1.042 . . . . 0.0 113.305 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m -57.26 133.07 54.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.877 1.671 . . . . 0.0 111.395 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mm -63.89 140.41 19.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -126.6 150.05 49.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 104.202 -2.518 . . . . 0.0 104.202 169.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -126.28 101.88 6.93 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 -169.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -103.28 123.04 46.03 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.9 m -69.1 132.77 47.11 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.2 m -140.49 153.38 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 122.756 0.423 . . . . 0.0 110.996 -172.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -105.83 119.02 38.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 169.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.0 t -89.56 115.09 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.8 mt -83.12 -28.01 29.75 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.2 178.22 32.03 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 107.778 -2.129 . . . . 0.0 107.778 -174.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 10.2 mtp -65.59 151.88 45.42 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 121.998 -0.707 . . . . 0.0 110.704 172.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.29 171.54 4.77 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.023 1.329 . . . . 0.0 111.087 175.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -47.74 152.1 3.11 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.354 2.703 . . . . 0.0 113.624 170.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.93 -35.28 64.04 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 125.095 1.358 . . . . 0.0 111.441 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -71.96 -29.18 64.0 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.968 0.907 . . . . 0.0 112.225 -178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -70.96 -50.23 36.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 171.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.1 m -71.87 7.15 1.67 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.428 1.491 . . . . 0.0 114.478 -173.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -13.24 61.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.044 1.737 . . . . 0.0 111.945 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -146.11 -23.95 0.45 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -169.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -157.41 152.31 25.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 106.944 -1.502 . . . . 0.0 106.944 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.5 mmt -84.55 120.69 26.63 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -127.09 154.56 44.56 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.328 1.051 . . . . 0.0 108.999 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.2 m -136.76 144.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.828 0.851 . . . . 0.0 109.425 -177.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.87 142.51 44.09 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 169.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.92 141.35 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 -169.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.16 136.11 53.46 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 174.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -86.34 65.73 9.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.006 0.923 . . . . 0.0 111.095 -171.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.3 pt -57.06 -21.58 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.05 -4.54 88.35 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.886 1.231 . . . . 0.0 113.098 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.76 -93.1 0.11 Allowed Glycine 0 C--N 1.338 0.679 0 CA-C-N 119.149 1.474 . . . . 0.0 111.079 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -60.73 -37.32 81.35 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 117.81 0.805 . . . . 0.0 112.215 -172.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.1 t70 59.52 -26.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 130.392 3.477 . . . . 0.0 116.603 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -115.29 9.31 15.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.703 1.601 . . . . 0.0 111.306 -172.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -135.82 163.59 29.86 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 123.9 0.88 . . . . 0.0 110.804 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.85 147.19 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 126.01 1.724 . . . . 0.0 109.03 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -139.55 -168.35 2.46 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.358 2.263 . . . . 0.0 108.415 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 47.7 m -122.72 146.06 47.83 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 171.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.71 153.71 47.89 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 124.673 1.189 . . . . 0.0 109.712 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -73.39 128.17 34.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 169.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 52.4 tp -59.74 -33.96 72.33 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.274 0.943 . . . . 0.0 109.961 175.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -54.04 -17.21 2.43 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 114.441 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -115.97 11.96 15.56 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.924 0.89 . . . . 0.0 111.708 -171.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -120.33 153.92 23.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.567 1.547 . . . . 0.0 109.449 -177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -118.36 118.78 32.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 105.644 -1.984 . . . . 0.0 105.644 170.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.6 139.39 40.62 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 85.7 mt -129.58 143.13 42.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.755 1.222 . . . . 0.0 108.366 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.3 t70 52.58 36.02 19.53 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.641 1.576 . . . . 0.0 113.186 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.535 HG21 HG21 ' A' ' 109' ' ' THR . 4.1 p -108.76 168.84 3.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 123.899 0.88 . . . . 0.0 110.59 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.15 151.71 46.36 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 123.683 0.793 . . . . 0.0 110.417 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.47 -41.87 73.55 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.245 1.018 . . . . 0.0 111.906 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -73.65 -28.78 61.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.078 0.854 . . . . 0.0 111.086 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.535 HG21 HG21 ' A' ' 105' ' ' VAL . 97.2 m -69.8 -50.6 41.42 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 172.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.54 -45.6 88.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.14 -37.85 88.96 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.543 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.69 -42.73 95.13 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.445 1.02 . . . . 0.0 110.377 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 93.8 mt -68.01 -43.88 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.8 94.38 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.069 0.547 . . . . 0.0 110.359 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.02 -35.76 80.63 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.471 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 57.1 t-105 -61.13 -46.48 90.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.967 0.803 . . . . 0.0 110.565 170.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.6 mt -62.68 -45.61 92.0 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 122.061 -0.399 . . . . 0.0 109.971 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.05 -38.93 92.43 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.817 0.447 . . . . 0.0 111.0 177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.92 -45.66 91.85 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 119.352 0.978 . . . . 0.0 110.596 174.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.43 -42.78 95.82 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.35 96.69 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.534 0.734 . . . . 0.0 111.72 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -63.85 -26.67 68.72 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.175 0.99 . . . . 0.0 111.936 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 145.26 128.69 2.05 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.908 0.766 . . . . 0.0 111.392 170.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -74.65 79.25 2.01 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.291 1.036 . . . . 0.0 108.489 169.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.43 -26.01 4.68 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 118.486 -0.769 . . . . 0.0 112.719 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.865 1.666 . . . . 0.0 111.45 -170.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.22 -32.61 74.25 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.009 -0.432 . . . . 0.0 111.574 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -70.41 63.22 0.25 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.289 1.836 . . . . 0.0 111.538 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.38 -22.58 23.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.722 1.209 . . . . 0.0 111.266 174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.87 151.4 39.7 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.843 1.657 . . . . 0.0 107.446 169.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 mtp-105 -133.03 -1.79 3.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.505 0.722 . . . . 0.0 111.54 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.73 87.71 5.23 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 170.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.24 -15.45 10.1 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.178 0.991 . . . . 0.0 112.593 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.1 m -55.68 -34.6 65.18 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.291 0.95 . . . . 0.0 110.991 172.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -63.47 -46.83 84.39 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.493 1.042 . . . . 0.0 110.955 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.11 -43.85 94.08 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.526 0.73 . . . . 0.0 109.408 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -58.18 9.42 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.45 0.7 . . . . 0.0 110.024 172.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -67.92 -36.08 79.56 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 118.434 -0.793 . . . . 0.0 112.238 -169.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 11.7 tt -63.99 -40.31 88.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 119.861 1.21 . . . . 0.0 109.186 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.05 -46.25 85.23 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.006 0.523 . . . . 0.0 111.312 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 63.7 p -91.65 -3.74 55.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -136.8 -21.95 1.25 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.977 1.262 . . . . 0.0 114.2 -175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 81.7 mt -115.68 -33.05 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 120.18 1.354 . . . . 0.0 111.775 -169.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -125.46 24.35 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.237 0.926 . . . . 0.0 111.119 -175.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.0 m -47.78 -36.48 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.705 2.002 . . . . 0.0 115.746 -169.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -116.92 2.04 12.72 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.975 0.91 . . . . 0.0 111.525 -171.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 143.52 36.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.352 0.661 . . . . 0.0 110.297 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -130.94 -19.41 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.432 1.493 . . . . 0.0 110.565 171.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -115.28 153.26 31.26 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.412 1.085 . . . . 0.0 110.722 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -46.25 -38.85 9.04 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.41 1.484 . . . . 0.0 112.813 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -71.06 -39.58 72.13 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.876 0.762 . . . . 0.0 109.38 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.09 -41.13 74.47 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -61.45 -40.51 94.74 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 119.017 -0.516 . . . . 0.0 110.055 173.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.03 -40.16 96.91 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 118.898 -0.573 . . . . 0.0 110.535 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.0 mmt -65.18 -43.17 92.53 Favored 'General case' 0 C--N 1.337 0.06 0 CA-C-N 118.822 0.737 . . . . 0.0 111.417 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -55.49 -54.12 36.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 118.88 0.764 . . . . 0.0 111.211 176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -52.42 -56.4 15.28 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.476 0.71 . . . . 0.0 110.43 172.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -53.99 -48.5 70.32 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.56 0.744 . . . . 0.0 111.523 -174.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -63.06 -51.08 68.09 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.575 -0.726 . . . . 0.0 110.097 -173.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.35 -38.01 77.92 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.389 -178.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.66 -53.75 30.62 Favored 'General case' 0 C--N 1.339 0.137 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -172.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.76 -38.47 88.13 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.98 0.809 . . . . 0.0 111.532 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -63.28 -27.6 69.45 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 174.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -85.38 -32.18 22.54 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.856 0.863 . . . . 0.0 111.22 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.2 122.86 14.87 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.053 0.842 . . . . 0.0 109.1 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -81.31 47.59 1.05 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.937 1.295 . . . . 0.0 109.327 172.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -67.07 156.98 86.45 Favored Pre-proline 0 CA--C 1.545 0.764 0 C-N-CA 124.587 1.155 . . . . 0.0 112.061 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -64.98 155.34 76.52 Favored 'Cis proline' 0 C--N 1.351 0.678 0 CA-C-N 119.42 0.829 . . . . 0.0 111.558 -10.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.7 -169.36 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 124.964 1.305 . . . . 0.0 108.459 178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptm -130.97 169.47 15.78 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 122.067 0.937 . . . . 0.0 111.692 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.44 -177.42 38.95 Favored Glycine 0 N--CA 1.441 -0.975 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.424 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -115.98 124.78 51.38 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 105.769 -1.937 . . . . 0.0 105.769 169.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.55 104.8 7.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 169.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -85.02 52.45 2.44 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.761 1.624 . . . . 0.0 108.495 -178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -55.92 114.5 1.94 Allowed 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 123.949 0.9 . . . . 0.0 109.401 -169.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -67.24 117.36 9.15 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 172.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 m -64.49 -44.69 90.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -168.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -152.75 -174.96 5.1 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 125.328 1.451 . . . . 0.0 107.994 -170.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.28 -35.26 69.56 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.5 0.72 . . . . 0.0 111.106 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 p -60.71 165.74 3.72 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.772 1.229 . . . . 0.0 111.351 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 m -68.17 -7.15 27.65 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.5 m -61.39 145.02 53.01 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.311 1.044 . . . . 0.0 111.409 -173.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.66 144.51 36.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 C-N-CA 125.3 1.44 . . . . 0.0 107.294 175.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -111.77 149.51 31.6 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.157 -2.164 . . . . 0.0 105.157 169.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -131.13 115.44 16.4 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -128.49 126.2 39.98 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -175.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.4 m -72.99 135.01 44.9 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.23 157.42 19.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.479 0.712 . . . . 0.0 111.104 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -109.98 118.13 35.63 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.0 t -95.29 119.72 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -172.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.1 mt -86.64 -21.32 26.81 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -169.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 179.09 23.42 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 107.31 -2.316 . . . . 0.0 107.31 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -61.93 151.18 35.53 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 169.82 4.13 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 123.769 0.828 . . . . 0.0 109.855 170.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -50.51 152.58 8.74 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.396 2.064 . . . . 0.0 112.126 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.58 -28.82 65.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.639 0.376 . . . . 0.0 111.146 173.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.48 -34.17 73.65 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.712 0.805 . . . . 0.0 111.891 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.31 -43.14 17.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 121.941 -0.474 . . . . 0.0 110.027 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.3 m -77.31 14.63 0.9 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -171.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.64 -10.01 59.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.752 1.221 . . . . 0.0 112.446 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -134.0 -24.73 1.65 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.526 0.73 . . . . 0.0 112.941 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -160.59 161.65 32.61 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.8 mmt -80.54 117.98 21.73 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -125.83 152.87 44.9 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 124.325 1.05 . . . . 0.0 109.486 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -132.24 141.55 45.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 C-N-CA 123.919 0.888 . . . . 0.0 109.482 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -77.73 141.65 39.18 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 169.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.42 130.53 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -169.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.86 133.73 41.09 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -89.81 70.38 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.912 0.485 . . . . 0.0 110.968 -169.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -58.85 -13.86 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.65 -31.64 11.13 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 124.229 0.918 . . . . 0.0 112.113 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -120.86 -20.81 3.35 Favored Glycine 0 CA--C 1.53 1.004 0 CA-C-O 118.399 -1.223 . . . . 0.0 115.243 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -139.49 -41.94 0.45 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.612 1.706 . . . . 0.0 112.128 -175.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.2 t70 59.49 -27.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 129.338 3.055 . . . . 0.0 115.399 -170.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -107.42 5.91 27.75 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.493 1.517 . . . . 0.0 111.979 -172.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -138.25 162.81 33.35 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 123.679 0.791 . . . . 0.0 111.264 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.0 p -135.36 149.33 28.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.319 1.847 . . . . 0.0 110.115 -169.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -141.93 -172.23 3.52 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.262 2.225 . . . . 0.0 108.203 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.0 m -122.63 148.11 45.64 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 170.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.95 156.09 49.29 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.441 1.096 . . . . 0.0 110.047 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.77 132.2 44.14 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 173.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.49 -34.16 73.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.994 0.815 . . . . 0.0 110.035 173.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -56.96 -15.48 5.02 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.0 2.12 . . . . 0.0 114.335 174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -118.72 13.78 13.33 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.296 1.038 . . . . 0.0 111.379 -169.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.6 mt -124.69 155.02 32.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 C-N-CA 125.705 1.602 . . . . 0.0 109.173 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -124.26 119.12 28.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.79 138.64 38.3 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 -177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 92.4 mt -131.37 147.14 32.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 108.426 -176.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.2 t70 50.79 40.31 24.24 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.538 1.535 . . . . 0.0 112.77 172.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' ' 109' ' ' THR . 4.0 p -118.05 168.15 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 123.959 0.904 . . . . 0.0 110.483 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -66.21 151.71 46.4 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.592 0.757 . . . . 0.0 110.358 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.85 -41.85 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 124.245 1.018 . . . . 0.0 111.802 -178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -73.62 -29.07 62.13 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.103 0.865 . . . . 0.0 111.169 -175.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.557 HG21 HG21 ' A' ' 105' ' ' VAL . 97.6 m -69.48 -50.8 41.96 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 172.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.99 -45.92 86.02 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -64.16 -37.01 85.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.464 -0.779 . . . . 0.0 111.682 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.74 -42.7 97.82 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.891 1.223 . . . . 0.0 110.543 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -69.9 -44.33 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.5 85.54 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.181 0.593 . . . . 0.0 110.467 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -66.71 -37.74 85.31 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.892 0.477 . . . . 0.0 111.786 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -61.14 -46.49 90.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.578 0.627 . . . . 0.0 110.387 171.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.37 -43.09 99.64 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 122.567 0.347 . . . . 0.0 110.08 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -62.32 -47.28 84.96 Favored 'General case' 0 C--O 1.226 -0.157 0 C-N-CA 123.457 0.703 . . . . 0.0 110.219 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -55.09 -45.89 75.47 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.948 0.795 . . . . 0.0 110.795 176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.5 tp -63.36 -44.31 95.18 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.34 83.84 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.938 0.895 . . . . 0.0 112.272 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -62.53 -29.5 70.61 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.06 1.344 . . . . 0.0 111.313 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 147.85 130.55 2.01 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 109.761 -1.335 . . . . 0.0 109.761 173.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -76.09 72.95 2.94 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.025 0.93 . . . . 0.0 109.421 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -91.62 18.32 7.62 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.316 1.047 . . . . 0.0 110.47 172.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 13.5 t80 . . . . . 0 C--O 1.245 0.855 0 C-N-CA 126.608 1.963 . . . . 0.0 109.337 -176.813 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 tpt . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.43 2.62 2.74 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.027 0.931 . . . . 0.0 112.469 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -78.86 17.4 0.73 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.421 1.088 . . . . 0.0 112.965 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -77.67 29.12 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.325 1.85 . . . . 0.0 112.927 -169.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.57 71.17 2.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.807 1.243 . . . . 0.0 108.637 174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -50.09 -50.02 49.56 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.641 1.576 . . . . 0.0 111.858 -171.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.68 140.7 15.12 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.47 -19.91 65.86 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 118.93 -0.557 . . . . 0.0 112.285 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.1 m -57.14 -35.81 69.96 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 120.101 1.319 . . . . 0.0 110.756 173.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -61.79 -47.68 84.05 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 118.915 0.78 . . . . 0.0 109.0 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -65.45 -47.84 74.74 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.987 1.315 . . . . 0.0 110.508 -177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -62.63 -48.74 78.07 Favored 'General case' 0 C--O 1.232 0.164 0 O-C-N 122.112 -0.368 . . . . 0.0 110.457 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -64.84 -47.58 77.44 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.565 -174.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.4 tt -60.07 -42.32 89.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 119.495 1.043 . . . . 0.0 109.824 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.75 -33.43 75.14 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.139 0.976 . . . . 0.0 112.131 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.9 p -105.16 -10.58 17.02 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -136.87 -7.35 1.86 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 120.071 1.305 . . . . 0.0 114.434 -178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -121.22 -62.94 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 120.208 1.367 . . . . 0.0 109.482 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.0 pt -94.85 10.25 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 119.152 0.887 . . . . 0.0 111.473 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.29 -38.26 47.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 124.528 1.131 . . . . 0.0 111.916 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -79.6 -18.06 52.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.239 1.016 . . . . 0.0 112.519 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.2 160.17 27.04 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.474 0.71 . . . . 0.0 111.387 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -141.53 -8.93 0.96 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.402 1.081 . . . . 0.0 112.492 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -143.67 156.46 44.55 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 125.125 1.37 . . . . 0.0 108.668 -174.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -52.32 -37.87 57.0 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.91 -37.28 75.9 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.72 1.145 . . . . 0.0 109.857 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -70.07 -39.97 75.32 Favored 'General case' 0 CA--C 1.532 0.264 0 O-C-N 121.771 -0.58 . . . . 0.0 109.448 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -59.97 -42.73 94.77 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.863 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.64 92.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.307 0.503 . . . . 0.0 110.768 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 30.2 mmt -69.99 -37.86 75.83 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-O 118.793 -0.622 . . . . 0.0 111.934 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.59 -48.63 85.1 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -57.35 -52.56 64.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.592 0.757 . . . . 0.0 111.119 172.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.9 -46.89 78.24 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.886 0.474 . . . . 0.0 110.363 -176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -58.24 -56.71 18.56 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.037 0.935 . . . . 0.0 110.521 -175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.17 -37.16 75.1 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.135 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -65.57 -50.09 66.43 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.687 0.676 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.85 -39.2 84.35 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.646 0.657 . . . . 0.0 110.873 178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -67.16 -22.72 65.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.2 m -97.52 -34.81 10.85 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.926 0.89 . . . . 0.0 111.623 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.2 mt -59.5 117.38 4.81 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -81.48 51.68 1.71 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.761 0.824 . . . . 0.0 109.065 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -61.86 157.51 49.51 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.749 1.22 . . . . 0.0 111.691 -178.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.91 155.06 91.06 Favored 'Cis proline' 0 C--N 1.35 0.609 0 CA-C-N 119.279 0.778 . . . . 0.0 111.222 -9.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -144.15 -169.46 3.12 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.083 1.353 . . . . 0.0 108.206 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 ptm -133.79 165.82 24.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 119.643 1.11 . . . . 0.0 112.079 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.09 -179.96 37.93 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.292 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -115.56 123.58 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -77.18 106.1 8.68 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 105.706 -1.961 . . . . 0.0 105.706 169.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -82.61 50.42 1.66 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.259 1.824 . . . . 0.0 108.695 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -55.25 143.11 29.07 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 124.637 1.175 . . . . 0.0 109.894 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -131.32 29.9 4.55 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.74 0.816 . . . . 0.0 110.08 -174.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -142.56 16.12 2.0 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -168.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -79.98 57.49 2.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 120.736 -1.228 . . . . 0.0 110.826 -173.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 53.71 29.58 9.72 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.128 1.371 . . . . 0.0 111.352 -169.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -155.88 156.41 34.59 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.993 1.717 . . . . 0.0 106.632 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -82.31 -6.22 59.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.905 0.882 . . . . 0.0 111.059 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 m -66.67 143.04 57.21 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.649 0.78 . . . . 0.0 109.18 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.2 mm -66.8 143.48 15.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -128.94 152.17 48.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.371 2.668 . . . . 0.0 105.334 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -128.41 102.92 6.86 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -169.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -109.63 109.49 20.26 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 124.689 1.196 . . . . 0.0 108.794 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 m -64.45 133.09 51.78 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.2 m -140.73 145.35 25.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.354 0.662 . . . . 0.0 110.924 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -97.67 125.05 42.23 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 103.987 -2.597 . . . . 0.0 103.987 169.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -98.31 114.22 35.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -173.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -81.66 -26.98 34.28 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.515 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.7 -175.82 33.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mmm -64.23 153.36 38.26 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.245 0.545 . . . . 0.0 110.488 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.56 171.62 4.92 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 124.279 1.031 . . . . 0.0 109.986 169.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.12 150.14 10.89 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.764 2.309 . . . . 0.0 112.395 170.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -59.27 -27.26 65.65 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.124 0.57 . . . . 0.0 111.636 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.11 -33.82 76.94 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.47 0.708 . . . . 0.0 111.904 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -76.53 -43.77 37.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 77.6 m -75.49 8.18 3.05 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -170.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.7 -4.96 57.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.482 1.113 . . . . 0.0 113.03 -176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -142.94 -20.76 0.65 Allowed 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -160.25 150.04 17.94 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.5 mmt -80.26 121.98 26.31 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 120.277 1.399 . . . . 0.0 110.193 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -123.74 151.91 42.71 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.396 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.6 m -136.22 146.89 28.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.228 1.011 . . . . 0.0 109.043 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.63 137.58 35.44 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.75 131.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.484 0.713 . . . . 0.0 110.074 -172.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -97.3 134.74 40.19 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -83.1 64.66 7.78 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.468 1.107 . . . . 0.0 110.611 -171.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.0 pt -58.89 -18.0 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.491 -0.756 . . . . 0.0 112.383 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.47 1.81 88.49 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.247 1.403 . . . . 0.0 113.243 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.23 -92.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.714 0 CA-C-N 119.358 1.579 . . . . 0.0 111.475 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mmtm -59.7 -37.19 78.18 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 117.834 0.817 . . . . 0.0 112.339 -172.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.0 t70 60.02 -24.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 129.797 3.239 . . . . 0.0 115.748 -174.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -119.22 11.46 12.32 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.248 1.819 . . . . 0.0 111.154 -173.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -135.12 162.66 31.88 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 124.203 1.001 . . . . 0.0 110.342 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.46 150.19 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.711 1.604 . . . . 0.0 110.494 -168.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -141.12 -172.78 3.56 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.7 2.4 . . . . 0.0 108.12 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 m -120.41 148.43 43.79 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.44 151.34 48.4 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.367 1.067 . . . . 0.0 109.486 175.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 129.03 37.42 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 171.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.63 -30.62 69.98 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.003 0.365 . . . . 0.0 110.525 178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -50.89 -24.89 3.92 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 127.084 2.154 . . . . 0.0 113.614 171.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -110.96 12.7 22.14 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.194 0.998 . . . . 0.0 111.525 -169.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.93 154.35 26.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 C-N-CA 125.277 1.431 . . . . 0.0 109.534 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -125.41 118.47 25.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.36 139.63 42.52 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -128.28 139.52 51.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 124.546 1.138 . . . . 0.0 108.576 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.0 t70 51.83 36.14 17.28 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.676 1.59 . . . . 0.0 113.084 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 109' ' ' THR . 2.8 p -106.21 165.58 3.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.633 0.773 . . . . 0.0 110.523 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.92 157.91 33.92 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 123.49 0.716 . . . . 0.0 110.904 178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.67 -41.64 81.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.466 -176.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -70.68 -40.54 72.89 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.143 0.883 . . . . 0.0 110.44 -175.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.511 HG21 HG21 ' A' ' 105' ' ' VAL . 61.2 m -60.09 -51.23 70.5 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.823 0.849 . . . . 0.0 109.89 173.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -59.26 -47.14 86.46 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.44 -34.89 77.68 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.488 0.715 . . . . 0.0 111.843 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.16 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.686 0.676 . . . . 0.0 110.909 178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.62 -43.18 90.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.49 -39.24 76.02 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.981 0.513 . . . . 0.0 110.168 173.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.19 -42.86 99.68 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 118.037 0.38 . . . . 0.0 111.739 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -60.18 -46.1 90.86 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.591 0.356 . . . . 0.0 110.184 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.17 -43.58 97.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 119.195 -0.431 . . . . 0.0 110.037 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -60.41 -53.22 60.21 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-N 118.328 0.513 . . . . 0.0 109.71 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -55.94 -44.82 78.77 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.582 0.753 . . . . 0.0 111.03 -176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.14 -42.98 99.58 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 -173.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -72.53 -36.0 68.19 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.42 0.688 . . . . 0.0 111.967 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -68.34 -24.17 64.79 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.885 0.874 . . . . 0.0 111.912 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -147.59 -113.69 0.76 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 109.946 -1.261 . . . . 0.0 109.946 -171.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -142.4 -174.06 4.02 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 174.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -53.23 -57.69 9.63 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 124.982 1.313 . . . . 0.0 110.974 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.249 1.063 0 C-N-CA 125.524 1.53 . . . . 0.0 107.999 170.149 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.5 71.65 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.213 -0.929 . . . . 0.0 112.492 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -62.55 -9.46 8.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.623 1.569 . . . . 0.0 114.789 -171.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.7 m -70.54 -1.6 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 119.043 0.838 . . . . 0.0 112.897 178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -51.27 138.99 19.81 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.503 1.047 . . . . 0.0 109.899 169.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -113.99 -50.4 2.82 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -158.22 140.33 14.1 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -69.05 -16.72 63.76 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -169.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.8 p -56.43 -28.06 58.43 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 119.752 1.16 . . . . 0.0 111.763 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -58.93 -48.98 79.56 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.448 0.567 . . . . 0.0 110.027 175.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -70.99 -43.23 68.46 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 122.885 0.474 . . . . 0.0 109.932 -176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -63.2 -48.1 79.74 Favored 'General case' 0 CA--C 1.528 0.125 0 O-C-N 122.129 -0.357 . . . . 0.0 110.783 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -67.87 -41.86 82.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 118.547 -0.74 . . . . 0.0 111.092 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.8 tt -64.57 -41.25 91.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 119.276 0.944 . . . . 0.0 109.401 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.96 -38.7 89.5 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.616 -0.677 . . . . 0.0 111.45 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.7 p -97.41 0.42 47.73 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -170.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -139.44 -16.61 1.03 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.3 mt -123.44 -31.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.383 1.447 . . . . 0.0 112.946 -168.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.84 35.44 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 119.666 1.121 . . . . 0.0 111.16 174.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.7 m -53.01 -35.9 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.498 1.519 . . . . 0.0 114.593 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -133.32 3.99 3.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.268 1.027 . . . . 0.0 111.444 -169.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.23 102.94 3.21 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.6 -12.68 57.52 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -170.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -143.47 151.28 40.13 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.119 0.968 . . . . 0.0 109.898 -169.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -30.46 26.61 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -176.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.63 -42.77 61.01 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.565 1.075 . . . . 0.0 108.624 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.73 -36.62 84.89 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.771 -0.581 . . . . 0.0 109.696 175.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -69.53 -33.61 73.05 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 121.49 -0.756 . . . . 0.0 110.747 179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.23 95.48 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.515 0.598 . . . . 0.0 110.016 171.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 29.1 mmt -65.12 -39.62 93.35 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 118.821 0.737 . . . . 0.0 111.622 175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.55 77.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -54.83 -53.76 51.14 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.016 0.526 . . . . 0.0 111.229 173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -57.26 -46.06 83.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.439 0.696 . . . . 0.0 110.327 -176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -58.57 -55.07 39.74 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.818 0.847 . . . . 0.0 110.284 -173.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -35.52 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 119.771 -0.771 . . . . 0.0 110.448 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.26 -49.81 68.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.549 0.613 . . . . 0.0 109.86 -177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -59.92 -39.94 87.19 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.284 0.633 . . . . 0.0 110.851 178.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.32 -25.02 66.63 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 175.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.1 m -95.41 -36.15 11.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.573 0.749 . . . . 0.0 111.621 -174.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.69 119.3 8.42 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -84.12 51.83 2.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.743 0.817 . . . . 0.0 109.248 176.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -61.93 158.12 45.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 124.547 1.139 . . . . 0.0 111.987 -177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.76 155.73 90.23 Favored 'Cis proline' 0 C--N 1.35 0.657 0 CA-C-N 119.458 0.842 . . . . 0.0 111.727 -7.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -143.8 -168.85 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.377 1.471 . . . . 0.0 108.284 177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.39 169.02 17.86 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.039 -1.038 . . . . 0.0 111.752 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.85 -177.79 39.41 Favored Glycine 0 N--CA 1.441 -0.984 0 CA-C-O 122.174 0.874 . . . . 0.0 111.345 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.63 122.93 47.09 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 169.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -77.3 106.86 9.31 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 169.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -83.81 49.99 1.72 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.598 1.559 . . . . 0.0 108.404 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -52.77 119.6 4.77 Favored 'General case' 0 C--O 1.227 -0.1 0 C-N-CA 124.811 1.244 . . . . 0.0 110.729 -168.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -92.66 -10.79 36.01 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.916 0.486 . . . . 0.0 111.421 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -72.82 26.54 0.06 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.46 2.304 . . . . 0.0 114.664 -171.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -69.87 178.76 2.51 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.82 -1.175 . . . . 0.0 110.576 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -60.53 -18.82 54.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.596 0.758 . . . . 0.0 112.169 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.6 p -127.41 172.92 10.23 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.223 1.809 . . . . 0.0 107.842 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.2 m -65.34 -4.59 5.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.392 1.077 . . . . 0.0 113.821 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -62.16 138.16 58.36 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.8 2.04 . . . . 0.0 111.285 -174.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.8 mm -70.81 144.46 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 169.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -126.03 153.58 44.21 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.871 2.068 . . . . 0.0 105.711 169.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -128.32 112.59 14.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -169.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -118.07 121.28 40.19 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -70.11 131.73 44.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.1 m -139.74 146.81 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.964 0.506 . . . . 0.0 110.644 -174.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -96.75 118.0 32.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 104.732 -2.321 . . . . 0.0 104.732 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.8 t -87.31 107.82 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 58.1 mt -75.01 -29.69 60.93 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.242 0.617 . . . . 0.0 111.577 -169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.6 178.31 32.5 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 107.605 -2.198 . . . . 0.0 107.605 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mtp -63.58 151.44 41.54 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 122.149 -0.618 . . . . 0.0 110.226 170.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.79 168.21 9.37 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.405 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.08 152.55 7.59 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.56 2.173 . . . . 0.0 112.338 171.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -58.56 -28.58 65.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.826 0.45 . . . . 0.0 111.204 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.53 -28.99 70.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.836 0.854 . . . . 0.0 112.294 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -81.81 -42.99 18.91 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 171.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 60.2 m -76.63 20.16 0.24 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.281 1.032 . . . . 0.0 113.648 -174.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -15.51 62.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.762 2.025 . . . . 0.0 112.371 -175.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -148.83 -19.35 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -174.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -154.04 152.37 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 -175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mmt -87.8 124.31 33.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 118.999 0.818 . . . . 0.0 109.143 -173.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -127.1 154.57 44.55 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 124.328 1.051 . . . . 0.0 109.778 -175.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.9 m -136.29 144.66 32.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 123.979 0.911 . . . . 0.0 109.008 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -78.19 141.83 38.38 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 169.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -144.81 138.17 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 -169.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.03 135.99 50.71 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 174.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.55 64.7 8.05 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 124.435 1.094 . . . . 0.0 111.415 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.1 pt -58.19 -19.01 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 O-C-N 121.637 -0.664 . . . . 0.0 112.609 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.29 -2.62 87.61 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.917 1.246 . . . . 0.0 113.12 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.93 -96.47 0.13 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 119.255 1.528 . . . . 0.0 111.156 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 117.782 0.791 . . . . 0.0 112.503 -172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 60.64 -24.82 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 130.007 3.323 . . . . 0.0 115.953 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -118.68 11.22 12.71 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.179 1.792 . . . . 0.0 111.049 -173.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -133.91 162.67 31.4 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.137 0.975 . . . . 0.0 110.601 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.15 148.95 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 125.883 1.673 . . . . 0.0 110.381 -168.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -138.48 -175.25 4.06 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 127.285 2.234 . . . . 0.0 108.279 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.0 m -119.15 144.42 46.67 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 169.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.32 152.08 51.91 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.689 1.196 . . . . 0.0 109.284 -177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 131.06 42.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 172.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.94 -33.75 73.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.101 0.864 . . . . 0.0 109.882 172.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -56.1 -16.93 5.79 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.158 2.183 . . . . 0.0 113.84 174.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -117.1 15.12 15.04 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.722 1.209 . . . . 0.0 111.041 -171.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -123.37 153.87 29.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 125.403 1.481 . . . . 0.0 109.593 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -121.15 118.93 30.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.566 -2.012 . . . . 0.0 105.566 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.44 140.06 38.68 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 95.5 mt -130.29 141.3 46.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.882 1.273 . . . . 0.0 107.909 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.44 24.7 8.78 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.692 1.597 . . . . 0.0 113.798 176.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.06 163.61 3.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.221 1.008 . . . . 0.0 111.908 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -71.54 157.07 38.65 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.367 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.17 -43.71 78.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.706 0.802 . . . . 0.0 112.077 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -74.43 -29.16 61.37 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.261 0.937 . . . . 0.0 110.824 -176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 69.8 m -68.21 -50.39 54.43 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 173.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -57.71 -48.37 79.76 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.346 0.659 . . . . 0.0 109.86 178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -63.77 -35.27 80.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.459 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.78 91.44 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.588 1.085 . . . . 0.0 110.623 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.78 -45.01 88.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.94 91.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.146 0.578 . . . . 0.0 110.139 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -65.71 -38.92 90.53 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.847 0.459 . . . . 0.0 111.003 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -60.09 -48.98 79.47 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 118.393 0.542 . . . . 0.0 110.735 171.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.0 mt -60.88 -45.38 94.81 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -62.56 -46.68 87.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.204 177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -57.87 -45.14 86.76 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.643 1.11 . . . . 0.0 110.88 179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 47.1 tp -64.0 -42.34 97.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.81 -36.39 72.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.691 0.796 . . . . 0.0 112.383 176.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -61.26 -31.54 71.34 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.151 1.38 . . . . 0.0 110.399 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 151.13 126.46 1.31 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 169.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.23 79.65 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 169.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -129.73 7.17 5.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.971 0 CA-C-O 117.02 -1.467 . . . . 0.0 110.071 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttm . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -29.67 70.47 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.398 0.679 . . . . 0.0 112.502 -178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -63.3 99.08 0.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.821 1.248 . . . . 0.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.3 m -63.91 -21.36 28.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 123.07 0.548 . . . . 0.0 111.709 172.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -139.92 137.28 34.68 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 104.511 -2.403 . . . . 0.0 104.511 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -132.57 -25.5 1.9 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 118.751 0.705 . . . . 0.0 112.417 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.19 143.74 57.65 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.354 0.525 . . . . 0.0 110.935 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.95 -27.31 51.94 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.658 1.183 . . . . 0.0 112.756 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 m -56.58 -42.05 77.98 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.852 0.751 . . . . 0.0 110.784 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -62.94 -39.78 95.65 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 119.79 1.177 . . . . 0.0 110.133 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.12 -44.96 78.59 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -60.58 -46.35 90.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.95 0.9 . . . . 0.0 110.926 176.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -70.06 -46.22 65.42 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 118.051 -0.976 . . . . 0.0 111.015 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 tt -60.39 -42.46 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 119.28 0.945 . . . . 0.0 108.881 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.15 -55.33 35.18 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.9 p -72.6 -4.63 32.0 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -172.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -119.52 -27.93 5.43 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.427 1.012 . . . . 0.0 112.469 -178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -118.87 -34.08 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 119.514 1.052 . . . . 0.0 112.389 -169.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.26 31.47 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 119.933 1.242 . . . . 0.0 112.55 -171.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.1 m -52.24 -33.65 17.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.042 0.937 . . . . 0.0 112.896 173.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -89.74 2.78 54.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.315 1.446 . . . . 0.0 113.011 -171.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.97 146.22 45.11 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.122 0.969 . . . . 0.0 110.185 -170.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -136.32 4.16 2.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.725 0.81 . . . . 0.0 111.805 -172.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -138.69 149.53 45.22 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 124.827 1.251 . . . . 0.0 108.533 -178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -52.6 -36.51 56.35 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.42 -42.77 74.59 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.637 1.108 . . . . 0.0 109.416 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -68.57 -37.56 79.99 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.199 0.599 . . . . 0.0 109.614 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -72.23 -29.69 64.19 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.307 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -40.5 96.12 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 119.408 1.004 . . . . 0.0 109.489 169.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 26.1 mmt -65.61 -40.16 92.31 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-O 118.722 -0.656 . . . . 0.0 111.5 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.69 -50.88 61.61 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.264 0.938 . . . . 0.0 111.534 175.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -53.27 -53.4 51.4 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.457 0.703 . . . . 0.0 110.32 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -55.6 -47.44 76.49 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.466 0.706 . . . . 0.0 111.407 -177.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.97 -50.69 65.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 118.905 0.775 . . . . 0.0 110.259 -171.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -35.79 75.23 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.201 -178.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.27 -52.2 63.02 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.436 0.562 . . . . 0.0 109.925 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.95 -40.99 86.36 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 123.283 0.633 . . . . 0.0 110.833 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.64 -25.2 67.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.2 m -93.32 -37.53 11.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.912 0.885 . . . . 0.0 111.714 -175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.7 mt -58.74 122.29 13.18 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -82.09 48.77 1.29 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.093 1.357 . . . . 0.0 109.523 176.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -63.88 154.77 80.23 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.025 0.93 . . . . 0.0 111.529 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.15 152.85 91.17 Favored 'Cis proline' 0 CA--C 1.538 0.695 0 CA-C-N 119.27 0.775 . . . . 0.0 111.481 -8.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.05 -168.5 2.62 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.483 1.513 . . . . 0.0 108.418 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.5 ptm -135.23 166.76 22.36 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 119.516 1.053 . . . . 0.0 111.746 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.29 -178.34 38.94 Favored Glycine 0 N--CA 1.443 -0.888 0 CA-C-O 122.172 0.873 . . . . 0.0 111.621 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -115.64 119.65 36.81 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 170.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -76.43 111.21 11.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 104.37 -2.456 . . . . 0.0 104.37 169.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -82.44 49.61 1.48 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.368 1.467 . . . . 0.0 108.45 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.64 120.66 9.89 Favored 'General case' 0 CA--C 1.519 -0.214 0 C-N-CA 123.275 0.63 . . . . 0.0 109.632 -169.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -61.03 120.54 10.45 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 169.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 m -52.52 -47.39 66.69 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.351 0.66 . . . . 0.0 112.16 -169.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -146.55 -162.13 1.47 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 104.938 -2.245 . . . . 0.0 104.938 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.56 69.96 0.64 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.16 0.891 . . . . 0.0 109.134 169.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -157.21 171.03 21.15 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.045 1.738 . . . . 0.0 108.005 -177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.9 m -72.93 -21.62 60.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.345 1.058 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 m -61.94 150.14 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.336 1.054 . . . . 0.0 110.625 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.7 mt -130.07 140.82 47.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 124.08 0.952 . . . . 0.0 109.499 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.16 104.55 14.71 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 168.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -82.12 95.98 7.65 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -98.47 117.86 33.85 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.5 m -69.32 133.11 47.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.9 m -139.67 145.84 26.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.409 0.684 . . . . 0.0 110.843 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -97.41 117.61 32.04 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 104.119 -2.549 . . . . 0.0 104.119 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.5 t -88.18 109.73 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.4 mt -77.96 -29.84 50.01 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.248 0.619 . . . . 0.0 111.893 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 159.22 177.48 32.34 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 107.505 -2.238 . . . . 0.0 107.505 -174.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.7 mtp -64.76 150.91 46.53 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.064 -0.668 . . . . 0.0 110.55 172.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.81 168.49 8.66 Favored Pre-proline 0 CA--C 1.541 0.615 0 C-N-CA 124.105 0.962 . . . . 0.0 109.647 169.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -48.51 145.25 12.43 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 122.613 2.208 . . . . 0.0 112.098 169.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -57.72 -28.17 63.63 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.281 0.632 . . . . 0.0 111.271 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -58.68 -35.36 72.47 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.198 0.999 . . . . 0.0 112.357 176.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -79.46 -37.29 37.26 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.326 0.512 . . . . 0.0 110.293 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.9 m -76.01 15.05 0.59 Allowed 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -172.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.26 -9.33 58.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.645 1.578 . . . . 0.0 112.563 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -137.35 -34.14 0.72 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.043 0.937 . . . . 0.0 112.771 -169.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -157.31 156.52 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.7 mmt -85.14 129.63 34.76 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.507 1.049 . . . . 0.0 109.225 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -128.92 154.23 46.75 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.227 1.011 . . . . 0.0 109.868 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.98 145.65 27.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 C-N-CA 124.285 1.034 . . . . 0.0 109.125 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.16 140.86 37.65 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.08 136.62 33.73 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -172.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.09 133.71 42.97 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -83.04 67.75 9.24 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.772 0.829 . . . . 0.0 110.072 -172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 pt -60.18 -10.97 2.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 123.653 0.781 . . . . 0.0 113.035 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.02 -12.37 57.76 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 118.301 -1.277 . . . . 0.0 113.224 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -144.13 -22.95 0.16 Allowed Glycine 0 CA--C 1.53 1.029 0 CA-C-N 119.553 1.677 . . . . 0.0 116.02 -169.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -137.89 -40.21 0.55 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.544 1.672 . . . . 0.0 111.446 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.9 t70 59.69 -28.9 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.408 3.083 . . . . 0.0 115.227 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -105.53 5.48 31.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.656 1.582 . . . . 0.0 112.06 -172.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -134.73 161.32 35.48 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.66 0.784 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -131.59 147.58 32.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 126.107 1.763 . . . . 0.0 110.054 -168.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -139.46 -172.23 3.31 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.63 2.372 . . . . 0.0 108.151 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -120.03 147.5 44.72 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.1 51.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.988 1.315 . . . . 0.0 109.628 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -71.86 125.37 27.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 169.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.36 -36.74 78.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 119.107 0.867 . . . . 0.0 108.942 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.0 m -54.29 -11.01 0.44 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 129.23 3.012 . . . . 0.0 114.202 171.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -125.28 13.44 8.27 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.651 1.18 . . . . 0.0 111.676 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.8 mt -113.7 154.98 15.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 125.522 1.529 . . . . 0.0 109.128 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.11 118.17 29.86 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 173.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -78.51 137.96 38.18 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 91.5 mt -129.12 136.75 58.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.66 1.184 . . . . 0.0 108.112 -176.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.5 t70 58.53 23.59 10.97 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.757 175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.48 165.45 3.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 124.399 1.079 . . . . 0.0 112.141 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.1 156.69 38.82 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 169.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.02 -44.25 82.66 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.6 0.76 . . . . 0.0 112.005 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.25 -28.76 62.32 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.105 0.866 . . . . 0.0 110.811 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 55.7 m -68.18 -50.41 54.6 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -46.69 84.77 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.099 0.559 . . . . 0.0 109.764 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -63.59 -37.19 86.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.157 0.583 . . . . 0.0 111.359 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.69 81.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.991 0.814 . . . . 0.0 110.222 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.38 -47.89 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.68 90.89 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.609 0.764 . . . . 0.0 110.612 -178.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -69.68 -33.48 72.62 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 118.228 0.467 . . . . 0.0 111.641 -176.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -63.63 -46.04 87.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.546 0.612 . . . . 0.0 110.506 170.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.03 -43.91 98.18 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.984 -0.448 . . . . 0.0 109.854 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -61.87 -48.38 80.77 Favored 'General case' 0 CA--C 1.528 0.101 0 C-N-CA 123.47 0.708 . . . . 0.0 110.232 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -54.46 -44.55 72.66 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.092 0.957 . . . . 0.0 110.94 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.35 -45.32 88.31 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -62.48 -27.89 69.45 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 122.702 0.401 . . . . 0.0 111.688 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.677 173.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.0 -7.29 3.79 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 117.471 -1.738 . . . . 0.0 113.562 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.1 t80 54.87 84.15 0.07 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.372 1.586 . . . . 0.0 110.41 -173.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -58.24 -49.28 77.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 C--O 1.249 1.028 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -172.429 . . . . . . . . 0 0 . 1 stop_ save_